4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile

C86H61N7 — CID 135128753

IUPAC4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
SMILESCc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C86H61N7/c1-61-42-48-81(92-83-50-44-71(88(63-26-10-2-11-27-63)64-28-12-3-13-29-64)56-77(83)78-57-72(45-51-84(78)92)89(65-30-14-4-15-31-65)66-32-16-5-17-33-66)75(54-61)76-55-62(60-87)43-49-82(76)93-85-52-46-73(90(67-34-18-6-19-35-67)68-36-20-7-21-37-68)58-79(85)80-59-74(47-53-86(80)93)91(69-38-22-8-23-39-69)70-40-24-9-25-41-70/h2-59H,1H3
InChIKeyVPTDGFMCZRLALL-UHFFFAOYSA-N
MW1192.48 g/mol
LogP23.61
Rot. Bonds15

About 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile

4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile (PubChem CID 135128753) has the molecular formula C86H61N7 and a molecular weight of 1192.48 g/mol. Its IUPAC name is 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
PubChem CID135128753
Molecular FormulaC86H61N7
Molecular Weight1192.48 g/mol
Exact Mass1191.50
IUPAC Name4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
SMILESCc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C86H61N7/c1-61-42-48-81(92-83-50-44-71(88(63-26-10-2-11-27-63)64-28-12-3-13-29-64)56-77(83)78-57-72(45-51-84(78)92)89(65-30-14-4-15-31-65)66-32-16-5-17-33-66)75(54-61)76-55-62(60-87)43-49-82(76)93-85-52-46-73(90(67-34-18-6-19-35-67)68-36-20-7-21-37-68)58-79(85)80-59-74(47-53-86(80)93)91(69-38-22-8-23-39-69)70-40-24-9-25-41-70/h2-59H,1H3
InChIKeyVPTDGFMCZRLALL-UHFFFAOYSA-N
XLogP23.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.48
LogP ≤ 523.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 139523617
4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 158131422
3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]-4-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
CID 157056972
4-carbazol-9-yl-3-[5-methyl-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 155299361
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)anilino)benzonitrile
CID 70885552
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-3-methylanilino)benzonitrile
CID 70885418
2-[3,6-bis(N-(4-cyanophenyl)anilino)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126734678
4-(N-[3-carbazol-9-yl-5-(3,6-dimethylcarbazol-9-yl)phenyl]-4-cyanoanilino)benzonitrile
CID 154990023
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-methylphenyl]benzonitrile
CID 157473750
5-[4-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-2-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
CID 126734487
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146409744
4-[4-[3,5-bis[3-(N-phenylanilino)carbazol-9-yl]phenyl]-2,3-dimethylphenyl]benzonitrile
CID 130353387

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile (CID 135128753) is 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile is Cc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1.
What is the InChIKey of 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile?
The InChIKey is VPTDGFMCZRLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H61N7/c1-61-42-48-81(92-83-50-44-71(88(63-26-10-2-11-27-63)64-28-12-3-13-29-64)56-77(83)78-57-72(45-51-84(78)92)89(65-30-14-4-15-31-65)66-32-16-5-17-33-66)75(54-61)76-55-62(60-87)43-49-82(76)93-85-52-46-73(90(67-34-18-6-19-35-67)68-36-20-7-21-37-68)58-79(85)80-59-74(47-53-86(80)93)91(69-38-22-8-23-39-69)70-40-24-9-25-41-70/h2-59H,1H3.
What are the key properties of 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile?
4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile has a molecular weight of 1192.48 g/mol, XLogP of 23.61, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile is sourced from PubChem (CID 135128753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).