9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole

C35H23N5 — CID 59844988

IUPAC9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccc3cccnc23)cc1
InChIInChI=1S/C35H23N5/c1-2-10-25(11-3-1)34-37-38-35(40(34)32-18-8-12-24-13-9-23-36-33(24)32)26-19-21-27(22-20-26)39-30-16-6-4-14-28(30)29-15-5-7-17-31(29)39/h1-23H
InChIKeyAMRMUQFOJSASHS-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.25
Rot. Bonds4

About 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole

9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 59844988) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
PubChem CID59844988
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccc3cccnc23)cc1
InChIInChI=1S/C35H23N5/c1-2-10-25(11-3-1)34-37-38-35(40(34)32-18-8-12-24-13-9-23-36-33(24)32)26-19-21-27(22-20-26)39-30-16-6-4-14-28(30)29-15-5-7-17-31(29)39/h1-23H
InChIKeyAMRMUQFOJSASHS-UHFFFAOYSA-N
XLogP8.25
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole (CID 59844988) is 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole is c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccc3cccnc23)cc1.
What is the InChIKey of 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The InChIKey is AMRMUQFOJSASHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-2-10-25(11-3-1)34-37-38-35(40(34)32-18-8-12-24-13-9-23-36-33(24)32)26-19-21-27(22-20-26)39-30-16-6-4-14-28(30)29-15-5-7-17-31(29)39/h1-23H.
What are the key properties of 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole has a molecular weight of 513.60 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 59844988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).