9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

C49H30N4 — CID 118650216

IUPAC9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C49H30N4/c50-31-32-24-25-49-43(26-32)42-18-5-10-23-48(42)51(49)35-13-11-12-33(27-35)34-28-36(52-44-19-6-1-14-38(44)39-15-2-7-20-45(39)52)30-37(29-34)53-46-21-8-3-16-40(46)41-17-4-9-22-47(41)53/h1-30H
InChIKeyBDWAPEJVCGZRNH-UHFFFAOYSA-N
MW674.81 g/mol
LogP12.52
Rot. Bonds4

About 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 118650216) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID118650216
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C49H30N4/c50-31-32-24-25-49-43(26-32)42-18-5-10-23-48(42)51(49)35-13-11-12-33(27-35)34-28-36(52-44-19-6-1-14-38(44)39-15-2-7-20-45(39)52)30-37(29-34)53-46-21-8-3-16-40(46)41-17-4-9-22-47(41)53/h1-30H
InChIKeyBDWAPEJVCGZRNH-UHFFFAOYSA-N
XLogP12.52
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 118650216) is 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is BDWAPEJVCGZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c50-31-32-24-25-49-43(26-32)42-18-5-10-23-48(42)51(49)35-13-11-12-33(27-35)34-28-36(52-44-19-6-1-14-38(44)39-15-2-7-20-45(39)52)30-37(29-34)53-46-21-8-3-16-40(46)41-17-4-9-22-47(41)53/h1-30H.
What are the key properties of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 674.81 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 118650216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).