9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile

C45H25N5 — CID 155079979

IUPAC9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(C#N)c2-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-20-21-44-39(24-29)37-13-3-7-18-42(37)50(44)43-19-8-4-14-38(43)45-31(28-48)10-9-15-34(45)32-22-30(27-47)23-33(25-32)49-40-16-5-1-11-35(40)36-12-2-6-17-41(36)49/h1-25H
InChIKeyGGDIDQXXRVVIBU-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile

9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 155079979) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
PubChem CID155079979
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(C#N)c2-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-20-21-44-39(24-29)37-13-3-7-18-42(37)50(44)43-19-8-4-14-38(43)45-31(28-48)10-9-15-34(45)32-22-30(27-47)23-33(25-32)49-40-16-5-1-11-35(40)36-12-2-6-17-41(36)49/h1-25H
InChIKeyGGDIDQXXRVVIBU-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-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155081498
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile (CID 155079979) is 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2cccc(C#N)c2-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is GGDIDQXXRVVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-20-21-44-39(24-29)37-13-3-7-18-42(37)50(44)43-19-8-4-14-38(43)45-31(28-48)10-9-15-34(45)32-22-30(27-47)23-33(25-32)49-40-16-5-1-11-35(40)36-12-2-6-17-41(36)49/h1-25H.
What are the key properties of 9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile?
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-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-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155079979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).