14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C374H233N21OS — CID 157495477

IUPAC14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3cc5ccccc5c5ccccc35)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6o5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6s5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5cc(-c6ccc7ccccc7c6)ccc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5ncccc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5ncccc5n3)c2)nc2ccccc24)cc1
InChIInChI=1S/C56H36N2.C55H34N2.C51H32N2.C45H28N2.C44H27N3O.C44H27N3S.C40H25N3.C39H24N4/c1-4-19-40(20-5-1)56(41-21-6-2-7-22-41)50-28-13-10-25-43(50)44-32-31-38(34-51(44)56)37-17-16-18-39(33-37)55-49-36-54-48(35-47(49)45-26-11-14-29-52(45)57-55)46-27-12-15-30-53(46)58(54)42-23-8-3-9-24-42;1-2-19-40(20-3-1)57-51-28-13-11-22-42(51)48-33-47-41-21-10-12-27-50(41)56-55(49(47)34-52(48)57)39-18-14-17-37(32-39)53-43-23-6-8-25-45(43)54(46-26-9-7-24-44(46)53)38-30-29-35-15-4-5-16-36(35)31-38;1-2-15-42(16-3-1)53-49-20-9-7-18-44(49)46-31-45-43-17-6-8-19-48(43)52-51(47(45)32-50(46)53)41-14-10-13-35(30-41)36-23-24-40-29-39(26-25-38(40)28-36)37-22-21-33-11-4-5-12-34(33)27-37;1-2-16-32(17-3-1)47-43-24-11-9-22-37(43)40-27-39-36-21-8-10-23-42(36)46-45(41(39)28-44(40)47)31-15-12-14-29(25-31)38-26-30-13-4-5-18-33(30)34-19-6-7-20-35(34)38;2*1-2-13-32(14-3-1)47-40-19-8-5-16-34(40)36-26-35-33-15-4-6-17-38(33)45-43(37(35)27-41(36)47)31-12-10-11-30(25-31)28-21-23-29(24-22-28)44-46-39-18-7-9-20-42(39)48-44;1-2-13-30(14-3-1)43-38-18-7-5-16-32(38)34-24-33-31-15-4-6-17-37(31)42-40(35(33)25-39(34)43)29-11-8-10-26(23-29)27-19-20-36-28(22-27)12-9-21-41-36;1-2-12-27(13-3-1)43-37-18-7-5-15-29(37)31-23-30-28-14-4-6-16-34(28)42-39(32(30)24-38(31)43)26-11-8-10-25(22-26)33-19-20-35-36(41-33)17-9-21-40-35/h1-36H;1-34H;1-32H;1-28H;2*1-27H;1-25H;1-24H
InChIKeyBXTZEMUQVWQUMC-UHFFFAOYSA-N
MW5069.19 g/mol
LogP98.90
Rot. Bonds30

About 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 157495477) has the molecular formula C374H233N21OS and a molecular weight of 5069.19 g/mol. Its IUPAC name is 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID157495477
Molecular FormulaC374H233N21OS
Molecular Weight5069.19 g/mol
Exact Mass5064.85
IUPAC Name14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3cc5ccccc5c5ccccc35)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6o5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6s5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5cc(-c6ccc7ccccc7c6)ccc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5ncccc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5ncccc5n3)c2)nc2ccccc24)cc1
InChIInChI=1S/C56H36N2.C55H34N2.C51H32N2.C45H28N2.C44H27N3O.C44H27N3S.C40H25N3.C39H24N4/c1-4-19-40(20-5-1)56(41-21-6-2-7-22-41)50-28-13-10-25-43(50)44-32-31-38(34-51(44)56)37-17-16-18-39(33-37)55-49-36-54-48(35-47(49)45-26-11-14-29-52(45)57-55)46-27-12-15-30-53(46)58(54)42-23-8-3-9-24-42;1-2-19-40(20-3-1)57-51-28-13-11-22-42(51)48-33-47-41-21-10-12-27-50(41)56-55(49(47)34-52(48)57)39-18-14-17-37(32-39)53-43-23-6-8-25-45(43)54(46-26-9-7-24-44(46)53)38-30-29-35-15-4-5-16-36(35)31-38;1-2-15-42(16-3-1)53-49-20-9-7-18-44(49)46-31-45-43-17-6-8-19-48(43)52-51(47(45)32-50(46)53)41-14-10-13-35(30-41)36-23-24-40-29-39(26-25-38(40)28-36)37-22-21-33-11-4-5-12-34(33)27-37;1-2-16-32(17-3-1)47-43-24-11-9-22-37(43)40-27-39-36-21-8-10-23-42(36)46-45(41(39)28-44(40)47)31-15-12-14-29(25-31)38-26-30-13-4-5-18-33(30)34-19-6-7-20-35(34)38;2*1-2-13-32(14-3-1)47-40-19-8-5-16-34(40)36-26-35-33-15-4-6-17-38(33)45-43(37(35)27-41(36)47)31-12-10-11-30(25-31)28-21-23-29(24-22-28)44-46-39-18-7-9-20-42(39)48-44;1-2-13-30(14-3-1)43-38-18-7-5-16-32(38)34-24-33-31-15-4-6-17-37(31)42-40(35(33)25-39(34)43)29-11-8-10-26(23-29)27-19-20-36-28(22-27)12-9-21-41-36;1-2-12-27(13-3-1)43-37-18-7-5-15-29(37)31-23-30-28-14-4-6-16-34(28)42-39(32(30)24-38(31)43)26-11-8-10-25(22-26)33-19-20-35-36(41-33)17-9-21-40-35/h1-36H;1-34H;1-32H;1-28H;2*1-27H;1-25H;1-24H
InChIKeyBXTZEMUQVWQUMC-UHFFFAOYSA-N
XLogP98.90
TPSA220.15 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms397
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005069.19
LogP ≤ 598.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 157495477) is 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3cc5ccccc5c5ccccc35)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6o5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6s5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5cc(-c6ccc7ccccc7c6)ccc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5ncccc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccc(-c3ccc5ncccc5n3)c2)nc2ccccc24)cc1.
What is the InChIKey of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is BXTZEMUQVWQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.C55H34N2.C51H32N2.C45H28N2.C44H27N3O.C44H27N3S.C40H25N3.C39H24N4/c1-4-19-40(20-5-1)56(41-21-6-2-7-22-41)50-28-13-10-25-43(50)44-32-31-38(34-51(44)56)37-17-16-18-39(33-37)55-49-36-54-48(35-47(49)45-26-11-14-29-52(45)57-55)46-27-12-15-30-53(46)58(54)42-23-8-3-9-24-42;1-2-19-40(20-3-1)57-51-28-13-11-22-42(51)48-33-47-41-21-10-12-27-50(41)56-55(49(47)34-52(48)57)39-18-14-17-37(32-39)53-43-23-6-8-25-45(43)54(46-26-9-7-24-44(46)53)38-30-29-35-15-4-5-16-36(35)31-38;1-2-15-42(16-3-1)53-49-20-9-7-18-44(49)46-31-45-43-17-6-8-19-48(43)52-51(47(45)32-50(46)53)41-14-10-13-35(30-41)36-23-24-40-29-39(26-25-38(40)28-36)37-22-21-33-11-4-5-12-34(33)27-37;1-2-16-32(17-3-1)47-43-24-11-9-22-37(43)40-27-39-36-21-8-10-23-42(36)46-45(41(39)28-44(40)47)31-15-12-14-29(25-31)38-26-30-13-4-5-18-33(30)34-19-6-7-20-35(34)38;2*1-2-13-32(14-3-1)47-40-19-8-5-16-34(40)36-26-35-33-15-4-6-17-38(33)45-43(37(35)27-41(36)47)31-12-10-11-30(25-31)28-21-23-29(24-22-28)44-46-39-18-7-9-20-42(39)48-44;1-2-13-30(14-3-1)43-38-18-7-5-16-32(38)34-24-33-31-15-4-6-17-37(31)42-40(35(33)25-39(34)43)29-11-8-10-26(23-29)27-19-20-36-28(22-27)12-9-21-41-36;1-2-12-27(13-3-1)43-37-18-7-5-15-29(37)31-23-30-28-14-4-6-16-34(28)42-39(32(30)24-38(31)43)26-11-8-10-25(22-26)33-19-20-35-36(41-33)17-9-21-40-35/h1-36H;1-34H;1-32H;1-28H;2*1-27H;1-25H;1-24H.
What are the key properties of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 5069.19 g/mol, XLogP of 98.90, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-(3-phenanthren-9-ylphenyl)-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;10-phenyl-14-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 157495477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).