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

C44H30N4 — CID 59500053

IUPAC9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C44H30N4/c1-3-11-31(12-4-1)33-19-23-35(24-20-33)43-45-44(36-25-21-34(22-26-36)32-13-5-2-6-14-32)48(46-43)38-29-27-37(28-30-38)47-41-17-9-7-15-39(41)40-16-8-10-18-42(40)47/h1-30H
InChIKeyWRHDJTJEUWQUPI-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.03
Rot. Bonds6

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

9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole (PubChem CID 59500053) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
PubChem CID59500053
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C44H30N4/c1-3-11-31(12-4-1)33-19-23-35(24-20-33)43-45-44(36-25-21-34(22-26-36)32-13-5-2-6-14-32)48(46-43)38-29-27-37(28-30-38)47-41-17-9-7-15-39(41)40-16-8-10-18-42(40)47/h1-30H
InChIKeyWRHDJTJEUWQUPI-UHFFFAOYSA-N
XLogP11.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500034
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
CID 59499933
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-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501332
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 59501290

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole (CID 59500053) is 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole?
The InChIKey is WRHDJTJEUWQUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-3-11-31(12-4-1)33-19-23-35(24-20-33)43-45-44(36-25-21-34(22-26-36)32-13-5-2-6-14-32)48(46-43)38-29-27-37(28-30-38)47-41-17-9-7-15-39(41)40-16-8-10-18-42(40)47/h1-30H.
What are the key properties of 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole?
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole has a molecular weight of 614.75 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole is sourced from PubChem (CID 59500053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).