1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole

C38H29N5 — CID 71029156

IUPAC1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
SMILESCn1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(ccn7C)c6)cc5)n(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C38H29N5/c1-41-22-20-32-24-30(16-18-35(32)41)26-8-12-28(13-9-26)37-39-38(43(40-37)34-6-4-3-5-7-34)29-14-10-27(11-15-29)31-17-19-36-33(25-31)21-23-42(36)2/h3-25H,1-2H3
InChIKeyYSULJWLXMCVLBI-UHFFFAOYSA-N
MW555.69 g/mol
LogP8.92
Rot. Bonds5

About 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole

1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole (PubChem CID 71029156) has the molecular formula C38H29N5 and a molecular weight of 555.69 g/mol. Its IUPAC name is 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole.

Molecular Properties

Compound Name1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
PubChem CID71029156
Molecular FormulaC38H29N5
Molecular Weight555.69 g/mol
Exact Mass555.24
IUPAC Name1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
SMILESCn1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(ccn7C)c6)cc5)n(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C38H29N5/c1-41-22-20-32-24-30(16-18-35(32)41)26-8-12-28(13-9-26)37-39-38(43(40-37)34-6-4-3-5-7-34)29-14-10-27(11-15-29)31-17-19-36-33(25-31)21-23-42(36)2/h3-25H,1-2H3
InChIKeyYSULJWLXMCVLBI-UHFFFAOYSA-N
XLogP8.92
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.69
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 137376309
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
5-(1-methylindol-5-yl)-1-phenylpyridin-2-one
CID 58016427
1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
CID 162507455
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
5-(4-fluorophenyl)-1-methylindole
CID 172686115
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
CID 59499933
7-(1-methylindol-5-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 72544580
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714
N-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59499881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole?
The IUPAC name of 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole (CID 71029156) is 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole.
What is the SMILES notation for 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole?
The canonical SMILES for 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole is Cn1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(ccn7C)c6)cc5)n(-c5ccccc5)n4)cc3)ccc21.
What is the InChIKey of 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole?
The InChIKey is YSULJWLXMCVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N5/c1-41-22-20-32-24-30(16-18-35(32)41)26-8-12-28(13-9-26)37-39-38(43(40-37)34-6-4-3-5-7-34)29-14-10-27(11-15-29)31-17-19-36-33(25-31)21-23-42(36)2/h3-25H,1-2H3.
What are the key properties of 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole?
1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole has a molecular weight of 555.69 g/mol, XLogP of 8.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole is sourced from PubChem (CID 71029156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).