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

C38H26N4 — CID 59845028

IUPAC9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C38H26N4/c1-3-13-27(14-4-1)31-17-7-8-20-34(31)38-40-39-37(42(38)29-15-5-2-6-16-29)28-23-25-30(26-24-28)41-35-21-11-9-18-32(35)33-19-10-12-22-36(33)41/h1-26H
InChIKeyXDYMJYJXOJTQBG-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.37
Rot. Bonds5

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

9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole (PubChem CID 59845028) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
PubChem CID59845028
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C38H26N4/c1-3-13-27(14-4-1)31-17-7-8-20-34(31)38-40-39-37(42(38)29-15-5-2-6-16-29)28-23-25-30(26-24-28)41-35-21-11-9-18-32(35)33-19-10-12-22-36(33)41/h1-26H
InChIKeyXDYMJYJXOJTQBG-UHFFFAOYSA-N
XLogP9.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59845039
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486
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
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
CID 122594038
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole (CID 59845028) is 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole is c1ccc(-c2ccccc2-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole?
The InChIKey is XDYMJYJXOJTQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-3-13-27(14-4-1)31-17-7-8-20-34(31)38-40-39-37(42(38)29-15-5-2-6-16-29)28-23-25-30(26-24-28)41-35-21-11-9-18-32(35)33-19-10-12-22-36(33)41/h1-26H.
What are the key properties of 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole?
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole has a molecular weight of 538.65 g/mol, XLogP of 9.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 59845028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).