3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole

C60H40N4 — CID 59501290

IUPAC3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4cc(-c6cccc7ccccc67)ccc4n5-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C60H40N4/c1-4-18-43(19-5-1)59-61-60(44-20-6-2-7-21-44)64(62-59)48-35-31-42(32-36-48)50-26-12-14-28-53(50)54-29-15-13-27-52(54)46-34-38-58-56(40-46)55-39-45(51-30-16-22-41-17-10-11-25-49(41)51)33-37-57(55)63(58)47-23-8-3-9-24-47/h1-40H
InChIKeyFQOCXYNLCCYZAK-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.52
Rot. Bonds8

About 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole

3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole (PubChem CID 59501290) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
PubChem CID59501290
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4cc(-c6cccc7ccccc67)ccc4n5-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C60H40N4/c1-4-18-43(19-5-1)59-61-60(44-20-6-2-7-21-44)64(62-59)48-35-31-42(32-36-48)50-26-12-14-28-53(50)54-29-15-13-27-52(54)46-34-38-58-56(40-46)55-39-45(51-30-16-22-41-17-10-11-25-49(41)51)33-37-57(55)63(58)47-23-8-3-9-24-47/h1-40H
InChIKeyFQOCXYNLCCYZAK-UHFFFAOYSA-N
XLogP15.52
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole 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

3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501332
3-[2-[2-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501297
9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160
9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486
3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501273
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-3,6-bis(3-phenylphenyl)carbazole;9-[4-[5-(4-naphthalen-2-ylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 159980819
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
CID 59499933

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole?
The IUPAC name of 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole (CID 59501290) is 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole?
The canonical SMILES for 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4cc(-c6cccc7ccccc67)ccc4n5-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole?
The InChIKey is FQOCXYNLCCYZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-4-18-43(19-5-1)59-61-60(44-20-6-2-7-21-44)64(62-59)48-35-31-42(32-36-48)50-26-12-14-28-53(50)54-29-15-13-27-52(54)46-34-38-58-56(40-46)55-39-45(51-30-16-22-41-17-10-11-25-49(41)51)33-37-57(55)63(58)47-23-8-3-9-24-47/h1-40H.
What are the key properties of 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole?
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole has a molecular weight of 817.01 g/mol, XLogP of 15.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole is sourced from PubChem (CID 59501290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).