4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile

C49H32N2 — CID 118632433

IUPAC4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C49H32N2/c50-33-34-11-13-37(14-12-34)40-23-27-45(28-24-40)51-48-29-25-43(41-19-15-38(16-20-41)35-7-3-1-4-8-35)31-46(48)47-32-44(26-30-49(47)51)42-21-17-39(18-22-42)36-9-5-2-6-10-36/h1-32H
InChIKeyRCUZDHHZPFKSCX-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.99
Rot. Bonds6

About 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile

4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 118632433) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
PubChem CID118632433
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C49H32N2/c50-33-34-11-13-37(14-12-34)40-23-27-45(28-24-40)51-48-29-25-43(41-19-15-38(16-20-41)35-7-3-1-4-8-35)31-46(48)47-32-44(26-30-49(47)51)42-21-17-39(18-22-42)36-9-5-2-6-10-36/h1-32H
InChIKeyRCUZDHHZPFKSCX-UHFFFAOYSA-N
XLogP12.99
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
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
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[3-(4-cyanophenyl)-2,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138675017
4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile (CID 118632433) is 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is RCUZDHHZPFKSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c50-33-34-11-13-37(14-12-34)40-23-27-45(28-24-40)51-48-29-25-43(41-19-15-38(16-20-41)35-7-3-1-4-8-35)31-46(48)47-32-44(26-30-49(47)51)42-21-17-39(18-22-42)36-9-5-2-6-10-36/h1-32H.
What are the key properties of 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 648.81 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 118632433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).