12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C98H60N6 — CID 122466350

IUPAC12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc5c(c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc76)n4)-c4cccc6cccc-5c46)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C98H60N6/c1-7-21-61(22-8-1)66-37-45-86-78(53-66)80-57-70(41-47-88(80)101(86)74-31-15-5-16-32-74)72-43-50-91-83(59-72)82-55-68(63-25-11-3-12-26-63)39-49-90(82)103(91)97-95-76-35-19-29-65-30-20-36-77(94(65)76)96(95)99-98(100-97)104-92-51-40-69(64-27-13-4-14-28-64)56-84(92)85-60-73(44-52-93(85)104)71-42-48-89-81(58-71)79-54-67(62-23-9-2-10-24-62)38-46-87(79)102(89)75-33-17-6-18-34-75/h1-60H
InChIKeyRRMDDRZHLGJOIV-UHFFFAOYSA-N
MW1321.60 g/mol
LogP25.67
Rot. Bonds10

About 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 122466350) has the molecular formula C98H60N6 and a molecular weight of 1321.60 g/mol. Its IUPAC name is 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

Compound Name12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
PubChem CID122466350
Molecular FormulaC98H60N6
Molecular Weight1321.60 g/mol
Exact Mass1320.49
IUPAC Name12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc5c(c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc76)n4)-c4cccc6cccc-5c46)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C98H60N6/c1-7-21-61(22-8-1)66-37-45-86-78(53-66)80-57-70(41-47-88(80)101(86)74-31-15-5-16-32-74)72-43-50-91-83(59-72)82-55-68(63-25-11-3-12-26-63)39-49-90(82)103(91)97-95-76-35-19-29-65-30-20-36-77(94(65)76)96(95)99-98(100-97)104-92-51-40-69(64-27-13-4-14-28-64)56-84(92)85-60-73(44-52-93(85)104)71-42-48-89-81(58-71)79-54-67(62-23-9-2-10-24-62)38-46-87(79)102(89)75-33-17-6-18-34-75/h1-60H
InChIKeyRRMDDRZHLGJOIV-UHFFFAOYSA-N
XLogP25.67
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.60
LogP ≤ 525.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene 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

14-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 122466557
11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524487
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630
14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466347
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965

Frequently Asked Questions

What is the IUPAC name of 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The IUPAC name of 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 122466350) is 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.
What is the SMILES notation for 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The canonical SMILES for 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc5c(c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc76)n4)-c4cccc6cccc-5c46)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The InChIKey is RRMDDRZHLGJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H60N6/c1-7-21-61(22-8-1)66-37-45-86-78(53-66)80-57-70(41-47-88(80)101(86)74-31-15-5-16-32-74)72-43-50-91-83(59-72)82-55-68(63-25-11-3-12-26-63)39-49-90(82)103(91)97-95-76-35-19-29-65-30-20-36-77(94(65)76)96(95)99-98(100-97)104-92-51-40-69(64-27-13-4-14-28-64)56-84(92)85-60-73(44-52-93(85)104)71-42-48-89-81(58-71)79-54-67(62-23-9-2-10-24-62)38-46-87(79)102(89)75-33-17-6-18-34-75/h1-60H.
What are the key properties of 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene has a molecular weight of 1321.60 g/mol, XLogP of 25.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 122466350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).