5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline

C35H28N6 — CID 140691148

IUPAC5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline
SMILESCN1c2ccccc2N(c2nc3c(-c4ccccc4)cccc3n2C)c2nc(-c3cccc4c3ccn4C)ccc21
InChIInChI=1S/C35H28N6/c1-38-22-21-26-25(14-10-17-28(26)38)27-19-20-32-34(36-27)41(30-16-8-7-15-29(30)39(32)2)35-37-33-24(23-11-5-4-6-12-23)13-9-18-31(33)40(35)3/h4-22H,1-3H3
InChIKeyZHAPJELHOIGIHC-UHFFFAOYSA-N
MW532.65 g/mol
LogP8.35
Rot. Bonds3

About 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline

5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline (PubChem CID 140691148) has the molecular formula C35H28N6 and a molecular weight of 532.65 g/mol. Its IUPAC name is 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline.

Molecular Properties

Compound Name5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline
PubChem CID140691148
Molecular FormulaC35H28N6
Molecular Weight532.65 g/mol
Exact Mass532.24
IUPAC Name5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline
SMILESCN1c2ccccc2N(c2nc3c(-c4ccccc4)cccc3n2C)c2nc(-c3cccc4c3ccn4C)ccc21
InChIInChI=1S/C35H28N6/c1-38-22-21-26-25(14-10-17-28(26)38)27-19-20-32-34(36-27)41(30-16-8-7-15-29(30)39(32)2)35-37-33-24(23-11-5-4-6-12-23)13-9-18-31(33)40(35)3/h4-22H,1-3H3
InChIKeyZHAPJELHOIGIHC-UHFFFAOYSA-N
XLogP8.35
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylbenzimidazol-2-yl)-phenylmethyl]azanide;zirconium(4+)
CID 58637080
2-chloro-4-phenyl-1-propan-2-ylbenzimidazole
CID 58212780
(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
CID 69158114
4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol
CID 135427920
bis(1-methylindol-4-yl)-diphenylphosphanium
CID 177284167
5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine
CID 59220458
2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole
CID 164845432
9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155240258
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindole
CID 134472380
2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918
3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole
CID 139052416
11-phenyl-12,14-diazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121385933

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline?
The IUPAC name of 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline (CID 140691148) is 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline.
What is the SMILES notation for 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline?
The canonical SMILES for 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline is CN1c2ccccc2N(c2nc3c(-c4ccccc4)cccc3n2C)c2nc(-c3cccc4c3ccn4C)ccc21.
What is the InChIKey of 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline?
The InChIKey is ZHAPJELHOIGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N6/c1-38-22-21-26-25(14-10-17-28(26)38)27-19-20-32-34(36-27)41(30-16-8-7-15-29(30)39(32)2)35-37-33-24(23-11-5-4-6-12-23)13-9-18-31(33)40(35)3/h4-22H,1-3H3.
What are the key properties of 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline?
5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline has a molecular weight of 532.65 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylindol-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline is sourced from PubChem (CID 140691148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).