9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

C50H29N5 — CID 148501028

IUPAC9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1-c1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1
InChIInChI=1S/C50H29N5/c51-30-33-26-27-36(29-42(33)32-12-9-14-35(28-32)54-43-20-5-3-17-39(43)40-19-10-13-34(31-52)50(40)54)53-46-23-8-4-18-41(46)49-47(53)24-11-25-48(49)55-44-21-6-1-15-37(44)38-16-2-7-22-45(38)55/h1-29H
InChIKeyMKQNPLANOWKVGK-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 148501028) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID148501028
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1-c1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1
InChIInChI=1S/C50H29N5/c51-30-33-26-27-36(29-42(33)32-12-9-14-35(28-32)54-43-20-5-3-17-39(43)40-19-10-13-34(31-52)50(40)54)53-46-23-8-4-18-41(46)49-47(53)24-11-25-48(49)55-44-21-6-1-15-37(44)38-16-2-7-22-45(38)55/h1-29H
InChIKeyMKQNPLANOWKVGK-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

Analyze 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 154959166
9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 161332658
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 148501028) is 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1-c1cccc(-n2c3ccccc3c3cccc(C#N)c32)c1.
What is the InChIKey of 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is MKQNPLANOWKVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-26-27-36(29-42(33)32-12-9-14-35(28-32)54-43-20-5-3-17-39(43)40-19-10-13-34(31-52)50(40)54)53-46-23-8-4-18-41(46)49-47(53)24-11-25-48(49)55-44-21-6-1-15-37(44)38-16-2-7-22-45(38)55/h1-29H.
What are the key properties of 9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]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-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 148501028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).