9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile

C50H29N5 — CID 154958107

IUPAC9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-26-27-46-41(28-32)39-17-3-7-22-44(39)54(46)47-24-11-25-48-49(47)40-18-4-8-23-45(40)55(48)50-34(31-52)13-10-19-36(50)33-12-9-14-35(29-33)53-42-20-5-1-15-37(42)38-16-2-6-21-43(38)53/h1-29H
InChIKeyUXCPWWWZXCBZHB-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile

9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile (PubChem CID 154958107) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
PubChem CID154958107
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-26-27-46-41(28-32)39-17-3-7-22-44(39)54(46)47-24-11-25-48-49(47)40-18-4-8-23-45(40)55(48)50-34(31-52)13-10-19-36(50)33-12-9-14-35(29-33)53-42-20-5-1-15-37(42)38-16-2-6-21-43(38)53/h1-29H
InChIKeyUXCPWWWZXCBZHB-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-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
CID 154958643
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-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603860
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 154958894
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871

Frequently Asked Questions

What is the IUPAC name of 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile (CID 154958107) is 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile?
The InChIKey is UXCPWWWZXCBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-26-27-46-41(28-32)39-17-3-7-22-44(39)54(46)47-24-11-25-48-49(47)40-18-4-8-23-45(40)55(48)50-34(31-52)13-10-19-36(50)33-12-9-14-35(29-33)53-42-20-5-1-15-37(42)38-16-2-6-21-43(38)53/h1-29H.
What are the key properties of 9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile?
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-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-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).