9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile

C50H29N5 — CID 154958557

IUPAC9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-24-25-40-39-15-2-7-18-43(39)53(49(40)28-32)35-27-33(31-52)26-34(29-35)36-12-1-6-17-42(36)54-46-21-10-5-16-41(46)50-47(54)22-11-23-48(50)55-44-19-8-3-13-37(44)38-14-4-9-20-45(38)55/h1-29H
InChIKeyMZSDAXVPKGWVOI-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile

9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 154958557) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
PubChem CID154958557
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-24-25-40-39-15-2-7-18-43(39)53(49(40)28-32)35-27-33(31-52)26-34(29-35)36-12-1-6-17-42(36)54-46-21-10-5-16-41(46)50-47(54)22-11-23-48(50)55-44-19-8-3-13-37(44)38-14-4-9-20-45(38)55/h1-29H
InChIKeyMZSDAXVPKGWVOI-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[3-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 154958170
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile (CID 154958557) is 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile is N#Cc1cc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is MZSDAXVPKGWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-24-25-40-39-15-2-7-18-43(39)53(49(40)28-32)35-27-33(31-52)26-34(29-35)36-12-1-6-17-42(36)54-46-21-10-5-16-41(46)50-47(54)22-11-23-48(50)55-44-19-8-3-13-37(44)38-14-4-9-20-45(38)55/h1-29H.
What are the key properties of 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).