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

C50H29N5 — CID 152884793

IUPAC9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc3)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-23-28-40-38-14-3-8-20-45(38)55(48(40)29-32)46-21-9-11-34(31-52)49(46)33-24-26-35(27-25-33)53-42-17-5-4-15-39(42)41-16-10-22-47(50(41)53)54-43-18-6-1-12-36(43)37-13-2-7-19-44(37)54/h1-29H
InChIKeyUCEMFXSFYDYAEM-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 152884793) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
PubChem CID152884793
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc3)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-23-28-40-38-14-3-8-20-45(38)55(48(40)29-32)46-21-9-11-34(31-52)49(46)33-24-26-35(27-25-33)53-42-17-5-4-15-39(42)41-16-10-22-47(50(41)53)54-43-18-6-1-12-36(43)37-13-2-7-19-44(37)54/h1-29H
InChIKeyUCEMFXSFYDYAEM-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-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958355
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
9-[4-[4-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604405
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
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-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 154959166

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile (CID 152884793) is 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc3)c2c1.
What is the InChIKey of 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is UCEMFXSFYDYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-23-28-40-38-14-3-8-20-45(38)55(48(40)29-32)46-21-9-11-34(31-52)49(46)33-24-26-35(27-25-33)53-42-17-5-4-15-39(42)41-16-10-22-47(50(41)53)54-43-18-6-1-12-36(43)37-13-2-7-19-44(37)54/h1-29H.
What are the key properties of 9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-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-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 152884793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).