9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile

C45H25N5 — CID 155081565

IUPAC9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)cc(-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-14-20-44-40(23-29)38-9-3-6-12-43(38)50(44)41-10-4-1-7-36(41)34-22-31(28-48)21-33(25-34)32-15-17-35(18-16-32)49-42-11-5-2-8-37(42)39-19-13-30(27-47)24-45(39)49/h1-25H
InChIKeyQSYUVGXJXINDCU-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile

9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 155081565) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
PubChem CID155081565
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)cc(-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-14-20-44-40(23-29)38-9-3-6-12-43(38)50(44)41-10-4-1-7-36(41)34-22-31(28-48)21-33(25-34)32-15-17-35(18-16-32)49-42-11-5-2-8-37(42)39-19-13-30(27-47)24-45(39)49/h1-25H
InChIKeyQSYUVGXJXINDCU-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile (CID 155081565) is 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)cc(-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is QSYUVGXJXINDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-14-20-44-40(23-29)38-9-3-6-12-43(38)50(44)41-10-4-1-7-36(41)34-22-31(28-48)21-33(25-34)32-15-17-35(18-16-32)49-42-11-5-2-8-37(42)39-19-13-30(27-47)24-45(39)49/h1-25H.
What are the key properties of 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155081565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).