9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile

C50H29N5 — CID 154958643

IUPAC9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cccc(-c4cccc(C#N)c4-n4c5ccccc5c5ccccc54)c3)c12
InChIInChI=1S/C50H29N5/c51-30-32-26-27-47-42(28-32)40-18-4-6-22-44(40)54(47)48-25-11-20-41-39-17-3-5-21-43(39)53(50(41)48)35-14-9-12-33(29-35)36-19-10-13-34(31-52)49(36)55-45-23-7-1-15-37(45)38-16-2-8-24-46(38)55/h1-29H
InChIKeyZOPYGYQPKQLBSA-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile

9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile (PubChem CID 154958643) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
PubChem CID154958643
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cccc(-c4cccc(C#N)c4-n4c5ccccc5c5ccccc54)c3)c12
InChIInChI=1S/C50H29N5/c51-30-32-26-27-47-42(28-32)40-18-4-6-22-44(40)54(47)48-25-11-20-41-39-17-3-5-21-43(39)53(50(41)48)35-14-9-12-33(29-35)36-19-10-13-34(31-52)49(36)55-45-23-7-1-15-37(45)38-16-2-8-24-46(38)55/h1-29H
InChIKeyZOPYGYQPKQLBSA-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-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
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
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile (CID 154958643) is 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cccc(-c4cccc(C#N)c4-n4c5ccccc5c5ccccc54)c3)c12.
What is the InChIKey of 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile?
The InChIKey is ZOPYGYQPKQLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-26-27-47-42(28-32)40-18-4-6-22-44(40)54(47)48-25-11-20-41-39-17-3-5-21-43(39)53(50(41)48)35-14-9-12-33(29-35)36-19-10-13-34(31-52)49(36)55-45-23-7-1-15-37(45)38-16-2-8-24-46(38)55/h1-29H.
What are the key properties of 9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile?
9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-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-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).