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

C50H29N5 — CID 154958901

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc3C#N)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-21-25-41-39-14-5-10-20-47(39)55(49(41)27-32)48-28-33(22-23-34(48)31-52)36-11-1-6-16-43(36)54-46-19-9-4-15-40(46)42-26-24-35(29-50(42)54)53-44-17-7-2-12-37(44)38-13-3-8-18-45(38)53/h1-29H
InChIKeyJWPNUPMZYDGGMN-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 154958901) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
PubChem CID154958901
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc3C#N)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-21-25-41-39-14-5-10-20-47(39)55(49(41)27-32)48-28-33(22-23-34(48)31-52)36-11-1-6-16-43(36)54-46-19-9-4-15-40(46)42-26-24-35(29-50(42)54)53-44-17-7-2-12-37(44)38-13-3-8-18-45(38)53/h1-29H
InChIKeyJWPNUPMZYDGGMN-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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Frequently Asked Questions

What is the IUPAC name of 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile (CID 154958901) is 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc3C#N)c2c1.
What is the InChIKey of 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is JWPNUPMZYDGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-21-25-41-39-14-5-10-20-47(39)55(49(41)27-32)48-28-33(22-23-34(48)31-52)36-11-1-6-16-43(36)54-46-19-9-4-15-40(46)42-26-24-35(29-50(42)54)53-44-17-7-2-12-37(44)38-13-3-8-18-45(38)53/h1-29H.
What are the key properties of 9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile?
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-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-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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