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

C45H25N5 — CID 155081041

IUPAC9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(C#N)cc54)cc3)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-10-21-43(50-42-8-4-2-6-37(42)40-24-30(27-47)11-22-44(40)50)39(23-29)34-14-12-32(13-15-34)33-16-18-35(19-17-33)49-41-7-3-1-5-36(41)38-20-9-31(28-48)25-45(38)49/h1-25H
InChIKeySTTBOAQMDBXBPY-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 155081041) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
PubChem CID155081041
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(C#N)cc54)cc3)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-10-21-43(50-42-8-4-2-6-37(42)40-24-30(27-47)11-22-44(40)50)39(23-29)34-14-12-32(13-15-34)33-16-18-35(19-17-33)49-41-7-3-1-5-36(41)38-20-9-31(28-48)25-45(38)49/h1-25H
InChIKeySTTBOAQMDBXBPY-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-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
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-yl-5-cyanophenyl)phenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile
CID 155603716

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile (CID 155081041) is 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(C#N)cc54)cc3)cc2)c1.
What is the InChIKey of 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is STTBOAQMDBXBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-10-21-43(50-42-8-4-2-6-37(42)40-24-30(27-47)11-22-44(40)50)39(23-29)34-14-12-32(13-15-34)33-16-18-35(19-17-33)49-41-7-3-1-5-36(41)38-20-9-31(28-48)25-45(38)49/h1-25H.
What are the key properties of 9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile?
9-[4-[4-[5-cyano-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-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155081041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).