3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile

C75H43N7 — CID 122467409

IUPAC3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)nc3c2-c2cccc4cccc-3c24)c1
InChIInChI=1S/C75H43N7/c76-44-45-16-13-19-47(38-45)73-72-59-26-14-17-46-18-15-27-60(71(46)59)74(72)78-75(77-73)48-39-51(81-67-32-11-5-24-57(67)61-42-49(34-36-69(61)81)79-63-28-7-1-20-53(63)54-21-2-8-29-64(54)79)41-52(40-48)82-68-33-12-6-25-58(68)62-43-50(35-37-70(62)82)80-65-30-9-3-22-55(65)56-23-4-10-31-66(56)80/h1-43H
InChIKeyDSCIAPMZXZWMQF-UHFFFAOYSA-N
MW1042.22 g/mol
LogP18.87
Rot. Bonds6

About 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile

3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile (PubChem CID 122467409) has the molecular formula C75H43N7 and a molecular weight of 1042.22 g/mol. Its IUPAC name is 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile.

Molecular Properties

Compound Name3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile
PubChem CID122467409
Molecular FormulaC75H43N7
Molecular Weight1042.22 g/mol
Exact Mass1041.36
IUPAC Name3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)nc3c2-c2cccc4cccc-3c24)c1
InChIInChI=1S/C75H43N7/c76-44-45-16-13-19-47(38-45)73-72-59-26-14-17-46-18-15-27-60(71(46)59)74(72)78-75(77-73)48-39-51(81-67-32-11-5-24-57(67)61-42-49(34-36-69(61)81)79-63-28-7-1-20-53(63)54-21-2-8-29-64(54)79)41-52(40-48)82-68-33-12-6-25-58(68)62-43-50(35-37-70(62)82)80-65-30-9-3-22-55(65)56-23-4-10-31-66(56)80/h1-43H
InChIKeyDSCIAPMZXZWMQF-UHFFFAOYSA-N
XLogP18.87
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.22
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile 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-[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-[3-(3-cyanophenyl)-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446453
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 147991874
3-[3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[f]quinazolin-1-yl]benzonitrile
CID 121404380
5-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-2-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126734715
2-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 126734883
9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734596
3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 160750615
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457
5-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile
CID 126735057
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752

Frequently Asked Questions

What is the IUPAC name of 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile?
The IUPAC name of 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile (CID 122467409) is 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile.
What is the SMILES notation for 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile?
The canonical SMILES for 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)nc3c2-c2cccc4cccc-3c24)c1.
What is the InChIKey of 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile?
The InChIKey is DSCIAPMZXZWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H43N7/c76-44-45-16-13-19-47(38-45)73-72-59-26-14-17-46-18-15-27-60(71(46)59)74(72)78-75(77-73)48-39-51(81-67-32-11-5-24-57(67)61-42-49(34-36-69(61)81)79-63-28-7-1-20-53(63)54-21-2-8-29-64(54)79)41-52(40-48)82-68-33-12-6-25-58(68)62-43-50(35-37-70(62)82)80-65-30-9-3-22-55(65)56-23-4-10-31-66(56)80/h1-43H.
What are the key properties of 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile?
3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile has a molecular weight of 1042.22 g/mol, XLogP of 18.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[12-[3,5-bis(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-octaen-14-yl]benzonitrile is sourced from PubChem (CID 122467409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).