9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole

C54H36N4 — CID 59501538

IUPAC9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nnc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H36N4/c1-2-16-43(17-3-1)58-53(55-56-54(58)42-31-26-37-14-4-5-15-41(37)36-42)40-29-27-38(28-30-40)45-18-6-8-20-47(45)48-21-9-7-19-46(48)39-32-34-44(35-33-39)57-51-24-12-10-22-49(51)50-23-11-13-25-52(50)57/h1-36H
InChIKeyOVCQMQHSHDSDML-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.85
Rot. Bonds7

About 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole

9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 59501538) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID59501538
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nnc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H36N4/c1-2-16-43(17-3-1)58-53(55-56-54(58)42-31-26-37-14-4-5-15-41(37)36-42)40-29-27-38(28-30-40)45-18-6-8-20-47(45)48-21-9-7-19-46(48)39-32-34-44(35-33-39)57-51-24-12-10-22-49(51)50-23-11-13-25-52(50)57/h1-36H
InChIKeyOVCQMQHSHDSDML-UHFFFAOYSA-N
XLogP13.85
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole 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-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[2-[2-[4-(3,5-dinaphthalen-2-yl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501300
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59501483
3-[6-[10-[9,10-bis(2-phenylphenyl)anthracen-2-yl]anthracen-9-yl]naphthalen-2-yl]-4,5-diphenyl-1,2,4-triazole
CID 58963321
N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59501492
9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59845039
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 59501538) is 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-n2c(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nnc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is OVCQMQHSHDSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-2-16-43(17-3-1)58-53(55-56-54(58)42-31-26-37-14-4-5-15-41(37)36-42)40-29-27-38(28-30-40)45-18-6-8-20-47(45)48-21-9-7-19-46(48)39-32-34-44(35-33-39)57-51-24-12-10-22-49(51)50-23-11-13-25-52(50)57/h1-36H.
What are the key properties of 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 740.91 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59501538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).