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

C50H29N5 — CID 154959166

IUPAC9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1-c1cccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1
InChIInChI=1S/C50H29N5/c51-30-33-14-11-27-46(55-45-26-8-4-19-38(45)40-21-10-15-34(31-52)49(40)55)48(33)32-13-9-16-35(29-32)53-42-23-5-3-20-39(42)41-22-12-28-47(50(41)53)54-43-24-6-1-17-36(43)37-18-2-7-25-44(37)54/h1-29H
InChIKeyOJQMBVVEXUEILZ-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile (PubChem CID 154959166) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
PubChem CID154959166
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1-c1cccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1
InChIInChI=1S/C50H29N5/c51-30-33-14-11-27-46(55-45-26-8-4-19-38(45)40-21-10-15-34(31-52)49(40)55)48(33)32-13-9-16-35(29-32)53-42-23-5-3-20-39(42)41-22-12-28-47(50(41)53)54-43-24-6-1-17-36(43)37-18-2-7-25-44(37)54/h1-29H
InChIKeyOJQMBVVEXUEILZ-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-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile;9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 159235947
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603824
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
CID 167507297
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
CID 154958643
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile (CID 154959166) is 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile is N#Cc1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1-c1cccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1.
What is the InChIKey of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile?
The InChIKey is OJQMBVVEXUEILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-14-11-27-46(55-45-26-8-4-19-38(45)40-21-10-15-34(31-52)49(40)55)48(33)32-13-9-16-35(29-32)53-42-23-5-3-20-39(42)41-22-12-28-47(50(41)53)54-43-24-6-1-17-36(43)37-18-2-7-25-44(37)54/h1-29H.
What are the key properties of 9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile?
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-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-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 154959166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).