bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C299H187N23S — CID 165083961

IUPACbis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)c5ccccc5n4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccc(-c6ccc7c(-c8ccccc8)c8c9ccccc9c9ccccc9n8c7c6)cc5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C57H36N6.C55H34N6.C52H31N3S.C47H30N4.2C44H28N2/c1-6-18-37(19-7-1)42-30-32-46-51(35-42)63-50-33-31-43(56-61-54(40-24-12-4-13-25-40)60-55(62-56)41-26-14-5-15-27-41)34-47(50)44-28-16-17-29-45(44)53(63)52(46)57-58-48(38-20-8-2-9-21-38)36-49(59-57)39-22-10-3-11-23-39;1-5-17-35(18-6-1)39-29-31-44-48(34-39)61-47-32-30-40(54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38)33-45(47)41-25-13-14-26-42(41)51(61)49(44)55-56-46-28-16-15-27-43(46)50(57-55)36-19-7-2-8-20-36;1-3-13-32(14-4-1)49-41-26-23-35(31-46(41)55-45-22-12-10-18-38(45)37-17-7-8-19-39(37)51(49)55)34-24-27-47-42(29-34)43-30-36(25-28-48(43)56-47)52-53-44-21-11-9-20-40(44)50(54-52)33-15-5-2-6-16-33;1-5-15-31(16-6-1)35-25-27-39-42(30-35)51-41-28-26-36(29-40(41)37-23-13-14-24-38(37)44(51)43(39)32-17-7-2-8-18-32)47-49-45(33-19-9-3-10-20-33)48-46(50-47)34-21-11-4-12-22-34;2*1-2-12-30(13-3-1)43-38-27-24-31(28-42(38)46-41-21-11-6-15-34(41)33-14-4-5-18-37(33)44(43)46)29-22-25-32(26-23-29)45-39-19-9-7-16-35(39)36-17-8-10-20-40(36)45/h1-36H;1-34H;1-31H;1-30H;2*1-28H
InChIKeyVOTWMNWZSYJHSN-UHFFFAOYSA-N
MW4134.01 g/mol
LogP77.53
Rot. Bonds28

About bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 165083961) has the molecular formula C299H187N23S and a molecular weight of 4134.01 g/mol. Its IUPAC name is bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Namebis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID165083961
Molecular FormulaC299H187N23S
Molecular Weight4134.01 g/mol
Exact Mass4130.51
IUPAC Namebis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)c5ccccc5n4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccc(-c6ccc7c(-c8ccccc8)c8c9ccccc9c9ccccc9n8c7c6)cc5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C57H36N6.C55H34N6.C52H31N3S.C47H30N4.2C44H28N2/c1-6-18-37(19-7-1)42-30-32-46-51(35-42)63-50-33-31-43(56-61-54(40-24-12-4-13-25-40)60-55(62-56)41-26-14-5-15-27-41)34-47(50)44-28-16-17-29-45(44)53(63)52(46)57-58-48(38-20-8-2-9-21-38)36-49(59-57)39-22-10-3-11-23-39;1-5-17-35(18-6-1)39-29-31-44-48(34-39)61-47-32-30-40(54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38)33-45(47)41-25-13-14-26-42(41)51(61)49(44)55-56-46-28-16-15-27-43(46)50(57-55)36-19-7-2-8-20-36;1-3-13-32(14-4-1)49-41-26-23-35(31-46(41)55-45-22-12-10-18-38(45)37-17-7-8-19-39(37)51(49)55)34-24-27-47-42(29-34)43-30-36(25-28-48(43)56-47)52-53-44-21-11-9-20-40(44)50(54-52)33-15-5-2-6-16-33;1-5-15-31(16-6-1)35-25-27-39-42(30-35)51-41-28-26-36(29-40(41)37-23-13-14-24-38(37)44(51)43(39)32-17-7-2-8-18-32)47-49-45(33-19-9-3-10-20-33)48-46(50-47)34-21-11-4-12-22-34;2*1-2-12-30(13-3-1)43-38-27-24-31(28-42(38)46-41-21-11-6-15-34(41)33-14-4-5-18-37(33)44(43)46)29-22-25-32(26-23-29)45-39-19-9-7-16-35(39)36-17-8-10-20-40(36)45/h1-36H;1-34H;1-31H;1-30H;2*1-28H
InChIKeyVOTWMNWZSYJHSN-UHFFFAOYSA-N
XLogP77.53
TPSA229.67 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004134.01
LogP ≤ 577.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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

Launch Full Analysis

Related Compounds

10-(4,6-diphenylpyrimidin-2-yl)-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 164757226
17-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757224
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-[3-[2,6-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[4-[4-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]carbazole
CID 160894019
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331220
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 126632050

Frequently Asked Questions

What is the IUPAC name of bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 165083961) is bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)c5ccccc5n4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccc(-c6ccc7c(-c8ccccc8)c8c9ccccc9c9ccccc9n8c7c6)cc5c4c3)nc3ccccc23)cc1.
What is the InChIKey of bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is VOTWMNWZSYJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6.C55H34N6.C52H31N3S.C47H30N4.2C44H28N2/c1-6-18-37(19-7-1)42-30-32-46-51(35-42)63-50-33-31-43(56-61-54(40-24-12-4-13-25-40)60-55(62-56)41-26-14-5-15-27-41)34-47(50)44-28-16-17-29-45(44)53(63)52(46)57-58-48(38-20-8-2-9-21-38)36-49(59-57)39-22-10-3-11-23-39;1-5-17-35(18-6-1)39-29-31-44-48(34-39)61-47-32-30-40(54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38)33-45(47)41-25-13-14-26-42(41)51(61)49(44)55-56-46-28-16-15-27-43(46)50(57-55)36-19-7-2-8-20-36;1-3-13-32(14-4-1)49-41-26-23-35(31-46(41)55-45-22-12-10-18-38(45)37-17-7-8-19-39(37)51(49)55)34-24-27-47-42(29-34)43-30-36(25-28-48(43)56-47)52-53-44-21-11-9-20-40(44)50(54-52)33-15-5-2-6-16-33;1-5-15-31(16-6-1)35-25-27-39-42(30-35)51-41-28-26-36(29-40(41)37-23-13-14-24-38(37)44(51)43(39)32-17-7-2-8-18-32)47-49-45(33-19-9-3-10-20-33)48-46(50-47)34-21-11-4-12-22-34;2*1-2-12-30(13-3-1)43-38-27-24-31(28-42(38)46-41-21-11-6-15-34(41)33-14-4-5-18-37(33)44(43)46)29-22-25-32(26-23-29)45-39-19-9-7-16-35(39)36-17-8-10-20-40(36)45/h1-36H;1-34H;1-31H;1-30H;2*1-28H.
What are the key properties of bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 4134.01 g/mol, XLogP of 77.53, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(17-(4-carbazol-9-ylphenyl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene);21-(4,6-diphenylpyrimidin-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,21-diphenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-21-(4-phenylquinazolin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;21-phenyl-17-[8-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 165083961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).