9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole

C285H179N19O2S — CID 159360957

IUPAC9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)c(-c4ccccc4)nc4ccccc46)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)c(-c4ccccc4)nc4ccccc46)cc3)c2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)c3)cc2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)c(-c5ccccc5)nc5ccccc57)cc4)cc3)o2)cc1
InChIInChI=1S/C58H37N5.2C48H31N3.C45H28N4O.C43H26N2O.C43H26N2S/c1-2-8-45(9-3-1)58-50-26-27-55-57(56(50)48-10-4-6-12-51(48)62-58)49-11-5-7-13-54(49)63(55)47-24-22-40(23-25-47)46-36-52(43-18-14-38(15-19-43)41-28-32-59-33-29-41)61-53(37-46)44-20-16-39(17-21-44)42-30-34-60-35-31-42;1-4-14-33(15-5-1)42-30-36(31-43(49-42)34-16-6-2-7-17-34)32-24-26-37(27-25-32)51-44-23-13-11-21-39(44)47-45(51)29-28-40-46(47)38-20-10-12-22-41(38)50-48(40)35-18-8-3-9-19-35;1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)49-43(31-36)34-24-26-37(27-25-34)51-44-23-13-11-21-39(44)47-45(51)29-28-40-46(47)38-20-10-12-22-41(38)50-48(40)35-18-8-3-9-19-35;1-3-11-31(12-4-1)43-37-27-28-40-42(41(37)35-15-7-9-17-38(35)46-43)36-16-8-10-18-39(36)49(40)34-25-23-30(24-26-34)29-19-21-33(22-20-29)45-48-47-44(50-45)32-13-5-2-6-14-32;2*1-2-11-28(12-3-1)42-35-25-26-38-41(40(35)33-14-4-7-18-36(33)44-42)34-15-5-8-19-37(34)45(38)29-23-21-27(22-24-29)30-16-10-17-32-31-13-6-9-20-39(31)46-43(30)32/h1-37H;2*1-31H;1-28H;2*1-26H
InChIKeyLINNWESZNPANFP-UHFFFAOYSA-N
MW3933.76 g/mol
LogP75.21
Rot. Bonds28

About 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole

9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 159360957) has the molecular formula C285H179N19O2S and a molecular weight of 3933.76 g/mol. Its IUPAC name is 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID159360957
Molecular FormulaC285H179N19O2S
Molecular Weight3933.76 g/mol
Exact Mass3930.42
IUPAC Name9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)c(-c4ccccc4)nc4ccccc46)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)c(-c4ccccc4)nc4ccccc46)cc3)c2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)c3)cc2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)c(-c5ccccc5)nc5ccccc57)cc4)cc3)o2)cc1
InChIInChI=1S/C58H37N5.2C48H31N3.C45H28N4O.C43H26N2O.C43H26N2S/c1-2-8-45(9-3-1)58-50-26-27-55-57(56(50)48-10-4-6-12-51(48)62-58)49-11-5-7-13-54(49)63(55)47-24-22-40(23-25-47)46-36-52(43-18-14-38(15-19-43)41-28-32-59-33-29-41)61-53(37-46)44-20-16-39(17-21-44)42-30-34-60-35-31-42;1-4-14-33(15-5-1)42-30-36(31-43(49-42)34-16-6-2-7-17-34)32-24-26-37(27-25-32)51-44-23-13-11-21-39(44)47-45(51)29-28-40-46(47)38-20-10-12-22-41(38)50-48(40)35-18-8-3-9-19-35;1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)49-43(31-36)34-24-26-37(27-25-34)51-44-23-13-11-21-39(44)47-45(51)29-28-40-46(47)38-20-10-12-22-41(38)50-48(40)35-18-8-3-9-19-35;1-3-11-31(12-4-1)43-37-27-28-40-42(41(37)35-15-7-9-17-38(35)46-43)36-16-8-10-18-39(36)49(40)34-25-23-30(24-26-34)29-19-21-33(22-20-29)45-48-47-44(50-45)32-13-5-2-6-14-32;2*1-2-11-28(12-3-1)42-35-25-26-38-41(40(35)33-14-4-7-18-36(33)44-42)34-15-5-8-19-37(34)45(38)29-23-21-27(22-24-29)30-16-10-17-32-31-13-6-9-20-39(31)46-43(30)32/h1-37H;2*1-31H;1-28H;2*1-26H
InChIKeyLINNWESZNPANFP-UHFFFAOYSA-N
XLogP75.21
TPSA223.43 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms307
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003933.76
LogP ≤ 575.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
CID 158692160
CID 158692160
CID 159961606
CID 159961606
2,8-Bis(diphenylphosphoryl)dibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane
CID 160041455
2-[Cyclohexa-1,3-dien-1-yl(phenyl)phosphoryl]-8-diphenylphosphoryldibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane
CID 160243493
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
4-(1,1-Didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160768550
2-[8-[8-[8-[3,7-Bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]-5-phenyl-1,3,4-oxadiazole
CID 57958393
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
9-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 58501544

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole (CID 159360957) is 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)c(-c4ccccc4)nc4ccccc46)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)c(-c4ccccc4)nc4ccccc46)cc3)c2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)c3)cc2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c3c3ccccc3n2-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)c(-c5ccccc5)nc5ccccc57)cc4)cc3)o2)cc1.
What is the InChIKey of 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is LINNWESZNPANFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.2C48H31N3.C45H28N4O.C43H26N2O.C43H26N2S/c1-2-8-45(9-3-1)58-50-26-27-55-57(56(50)48-10-4-6-12-51(48)62-58)49-11-5-7-13-54(49)63(55)47-24-22-40(23-25-47)46-36-52(43-18-14-38(15-19-43)41-28-32-59-33-29-41)61-53(37-46)44-20-16-39(17-21-44)42-30-34-60-35-31-42;1-4-14-33(15-5-1)42-30-36(31-43(49-42)34-16-6-2-7-17-34)32-24-26-37(27-25-32)51-44-23-13-11-21-39(44)47-45(51)29-28-40-46(47)38-20-10-12-22-41(38)50-48(40)35-18-8-3-9-19-35;1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)49-43(31-36)34-24-26-37(27-25-34)51-44-23-13-11-21-39(44)47-45(51)29-28-40-46(47)38-20-10-12-22-41(38)50-48(40)35-18-8-3-9-19-35;1-3-11-31(12-4-1)43-37-27-28-40-42(41(37)35-15-7-9-17-38(35)46-43)36-16-8-10-18-39(36)49(40)34-25-23-30(24-26-34)29-19-21-33(22-20-29)45-48-47-44(50-45)32-13-5-2-6-14-32;2*1-2-11-28(12-3-1)42-35-25-26-38-41(40(35)33-14-4-7-18-36(33)44-42)34-15-5-8-19-37(34)45(38)29-23-21-27(22-24-29)30-16-10-17-32-31-13-6-9-20-39(31)46-43(30)32/h1-37H;2*1-31H;1-28H;2*1-26H.
What are the key properties of 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole?
9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 3933.76 g/mol, XLogP of 75.21, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-phenyl-5-[4-[4-(14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-yl)phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159360957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).