2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile

C79H52N4 — CID 146532731

IUPAC2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
SMILESN#Cc1c(Nc2ccc(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C79H52N4/c80-52-72-74(81-73-39-34-60(54-22-9-2-10-23-54)45-67(73)65-33-19-32-59(44-65)53-20-7-1-8-21-53)50-66(82-75-40-35-61(55-24-11-3-12-25-55)46-68(75)69-47-62(36-41-76(69)82)56-26-13-4-14-27-56)51-79(72)83-77-42-37-63(57-28-15-5-16-29-57)48-70(77)71-49-64(38-43-78(71)83)58-30-17-6-18-31-58/h1-51,81H
InChIKeyAFJUIEDHEXUNCH-UHFFFAOYSA-N
MW1057.31 g/mol
LogP21.17
Rot. Bonds11

About 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile

2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile (PubChem CID 146532731) has the molecular formula C79H52N4 and a molecular weight of 1057.31 g/mol. Its IUPAC name is 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile.

Molecular Properties

Compound Name2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
PubChem CID146532731
Molecular FormulaC79H52N4
Molecular Weight1057.31 g/mol
Exact Mass1056.42
IUPAC Name2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
SMILESN#Cc1c(Nc2ccc(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C79H52N4/c80-52-72-74(81-73-39-34-60(54-22-9-2-10-23-54)45-67(73)65-33-19-32-59(44-65)53-20-7-1-8-21-53)50-66(82-75-40-35-61(55-24-11-3-12-25-55)46-68(75)69-47-62(36-41-76(69)82)56-26-13-4-14-27-56)51-79(72)83-77-42-37-63(57-28-15-5-16-29-57)48-70(77)71-49-64(38-43-78(71)83)58-30-17-6-18-31-58/h1-51,81H
InChIKeyAFJUIEDHEXUNCH-UHFFFAOYSA-N
XLogP21.17
TPSA45.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.31
LogP ≤ 521.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(3,6-diphenylcarbazol-9-yl)-3,5-diphenyl-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile
CID 146532453
2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
CID 121261977
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile
CID 121262064
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
The IUPAC name of 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile (CID 146532731) is 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile.
What is the SMILES notation for 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
The canonical SMILES for 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile is N#Cc1c(Nc2ccc(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
The InChIKey is AFJUIEDHEXUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N4/c80-52-72-74(81-73-39-34-60(54-22-9-2-10-23-54)45-67(73)65-33-19-32-59(44-65)53-20-7-1-8-21-53)50-66(82-75-40-35-61(55-24-11-3-12-25-55)46-68(75)69-47-62(36-41-76(69)82)56-26-13-4-14-27-56)51-79(72)83-77-42-37-63(57-28-15-5-16-29-57)48-70(77)71-49-64(38-43-78(71)83)58-30-17-6-18-31-58/h1-51,81H.
What are the key properties of 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile?
2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile has a molecular weight of 1057.31 g/mol, XLogP of 21.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,6-diphenylcarbazol-9-yl)-6-[4-phenyl-2-(3-phenylphenyl)anilino]benzonitrile is sourced from PubChem (CID 146532731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).