4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile

C56H32N6 — CID 155216774

IUPAC4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cccc(-c6ccccc6)n5)cc4-n4c5ccccc5c5ccc(-c6ccc(C#N)cc6)cc54)c3c2)cc1
InChIInChI=1S/C56H32N6/c57-33-36-17-21-38(22-18-36)41-25-27-46-44-11-4-6-15-51(44)61(53(46)29-41)55-31-43(35-59)48(50-14-8-13-49(60-50)40-9-2-1-3-10-40)32-56(55)62-52-16-7-5-12-45(52)47-28-26-42(30-54(47)62)39-23-19-37(34-58)20-24-39/h1-32H
InChIKeyYKWCAZDPAMQLHQ-UHFFFAOYSA-N
MW788.91 g/mol
LogP13.56
Rot. Bonds6

About 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile

4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 155216774) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID155216774
Molecular FormulaC56H32N6
Molecular Weight788.91 g/mol
Exact Mass788.27
IUPAC Name4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cccc(-c6ccccc6)n5)cc4-n4c5ccccc5c5ccc(-c6ccc(C#N)cc6)cc54)c3c2)cc1
InChIInChI=1S/C56H32N6/c57-33-36-17-21-38(22-18-36)41-25-27-46-44-11-4-6-15-51(44)61(53(46)29-41)55-31-43(35-59)48(50-14-8-13-49(60-50)40-9-2-1-3-10-40)32-56(55)62-52-16-7-5-12-45(52)47-28-26-42(30-54(47)62)39-23-19-37(34-58)20-24-39/h1-32H
InChIKeyYKWCAZDPAMQLHQ-UHFFFAOYSA-N
XLogP13.56
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421368
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155217531
2-[2,6-bis(trifluoromethyl)phenyl]-4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 137393375
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
4,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147090698
3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 146237934
2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216461

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile (CID 155216774) is 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cccc(-c6ccccc6)n5)cc4-n4c5ccccc5c5ccc(-c6ccc(C#N)cc6)cc54)c3c2)cc1.
What is the InChIKey of 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is YKWCAZDPAMQLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c57-33-36-17-21-38(22-18-36)41-25-27-46-44-11-4-6-15-51(44)61(53(46)29-41)55-31-43(35-59)48(50-14-8-13-49(60-50)40-9-2-1-3-10-40)32-56(55)62-52-16-7-5-12-45(52)47-28-26-42(30-54(47)62)39-23-19-37(34-58)20-24-39/h1-32H.
What are the key properties of 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 788.91 g/mol, XLogP of 13.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).