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

C35H23N5 — CID 59845039

IUPAC9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nnc2-c2cccc3cccnc23)cc1
InChIInChI=1S/C35H23N5/c1-2-12-26(13-3-1)40-34(37-38-35(40)30-16-8-10-24-11-9-23-36-33(24)30)25-19-21-27(22-20-25)39-31-17-6-4-14-28(31)29-15-5-7-18-32(29)39/h1-23H
InChIKeyLSLBYAMOHWPDHD-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.25
Rot. Bonds4

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

9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 59845039) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
PubChem CID59845039
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nnc2-c2cccc3cccnc23)cc1
InChIInChI=1S/C35H23N5/c1-2-12-26(13-3-1)40-34(37-38-35(40)30-16-8-10-24-11-9-23-36-33(24)30)25-19-21-27(22-20-25)39-31-17-6-4-14-28(31)29-15-5-7-18-32(29)39/h1-23H
InChIKeyLSLBYAMOHWPDHD-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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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
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-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 129221390
9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
CID 122594038
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole (CID 59845039) is 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole is c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nnc2-c2cccc3cccnc23)cc1.
What is the InChIKey of 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The InChIKey is LSLBYAMOHWPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-2-12-26(13-3-1)40-34(37-38-35(40)30-16-8-10-24-11-9-23-36-33(24)30)25-19-21-27(22-20-25)39-31-17-6-4-14-28(31)29-15-5-7-18-32(29)39/h1-23H.
What are the key properties of 9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
9-[4-(4-phenyl-5-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-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 59845039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).