9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile

C50H29N5 — CID 148765644

IUPAC9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc1C#N
InChIInChI=1S/C50H29N5/c51-30-32-20-26-48-42(28-32)40-13-4-8-18-47(40)54(48)43-27-23-34(29-35(43)31-52)33-21-24-36(25-22-33)53-44-15-5-3-12-39(44)41-14-9-19-49(50(41)53)55-45-16-6-1-10-37(45)38-11-2-7-17-46(38)55/h1-29H
InChIKeyOHKDVLXEBXSYJO-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile

9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 148765644) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
PubChem CID148765644
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc1C#N
InChIInChI=1S/C50H29N5/c51-30-32-20-26-48-42(28-32)40-13-4-8-18-47(40)54(48)43-27-23-34(29-35(43)31-52)33-21-24-36(25-22-33)53-44-15-5-3-12-39(44)41-14-9-19-49(50(41)53)55-45-16-6-1-10-37(45)38-11-2-7-17-46(38)55/h1-29H
InChIKeyOHKDVLXEBXSYJO-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

8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile (CID 148765644) is 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc1C#N.
What is the InChIKey of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is OHKDVLXEBXSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-20-26-48-42(28-32)40-13-4-8-18-47(40)54(48)43-27-23-34(29-35(43)31-52)33-21-24-36(25-22-33)53-44-15-5-3-12-39(44)41-14-9-19-49(50(41)53)55-45-16-6-1-10-37(45)38-11-2-7-17-46(38)55/h1-29H.
What are the key properties of 9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile?
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]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-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 148765644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).