1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole

C52H46N4+2 — CID 160813489

IUPAC1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole
SMILESCc1c(-[n+]2ccccc2C)cc2ccccc2c1-c1cc2ccccc2n1C.Cc1c(-c2cc3ccccc3n2C)cc2ccccc2c1-[n+]1ccccc1C
InChIInChI=1S/2C26H23N2/c1-18-10-8-9-15-28(18)26-19(2)23(16-20-11-4-6-13-22(20)26)25-17-21-12-5-7-14-24(21)27(25)3;1-18-10-8-9-15-28(18)24-16-20-11-4-6-13-22(20)26(19(24)2)25-17-21-12-5-7-14-23(21)27(25)3/h2*4-17H,1-3H3/q2*+1
InChIKeyNJVAYSLQKMJZPY-UHFFFAOYSA-N
MW726.97 g/mol
LogP11.78
Rot. Bonds4

About 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole

1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole (PubChem CID 160813489) has the molecular formula C52H46N4+2 and a molecular weight of 726.97 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole
PubChem CID160813489
Molecular FormulaC52H46N4+2
Molecular Weight726.97 g/mol
Exact Mass726.37
IUPAC Name1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole
SMILESCc1c(-[n+]2ccccc2C)cc2ccccc2c1-c1cc2ccccc2n1C.Cc1c(-c2cc3ccccc3n2C)cc2ccccc2c1-[n+]1ccccc1C
InChIInChI=1S/2C26H23N2/c1-18-10-8-9-15-28(18)26-19(2)23(16-20-11-4-6-13-22(20)26)25-17-21-12-5-7-14-24(21)27(25)3;1-18-10-8-9-15-28(18)24-16-20-11-4-6-13-22(20)26(19(24)2)25-17-21-12-5-7-14-23(21)27(25)3/h2*4-17H,1-3H3/q2*+1
InChIKeyNJVAYSLQKMJZPY-UHFFFAOYSA-N
XLogP11.78
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.97
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-4-(1-methylindol-2-yl)carbazole
CID 13159227
1-[2,5-dimethyl-3-(2-methylpyrazol-3-yl)phenyl]-2-methylpyridin-1-ium
CID 159365880
2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)-5-(trifluoromethyl)phenyl]isoindole
CID 170397287
2-(2-bromophenyl)-1-methylindole
CID 127263547
benzene;1-methyl-2-phenylindole
CID 158316839
9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole
CID 58991797
1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazole
CID 170396514
1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole
CID 158134503
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
CID 170402833
1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)indole
CID 173189823
3-(1-methylindol-2-yl)thiophene-2-carbaldehyde
CID 82387318

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole?
The IUPAC name of 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole (CID 160813489) is 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole.
What is the SMILES notation for 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole?
The canonical SMILES for 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole is Cc1c(-[n+]2ccccc2C)cc2ccccc2c1-c1cc2ccccc2n1C.Cc1c(-c2cc3ccccc3n2C)cc2ccccc2c1-[n+]1ccccc1C.
What is the InChIKey of 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole?
The InChIKey is NJVAYSLQKMJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H23N2/c1-18-10-8-9-15-28(18)26-19(2)23(16-20-11-4-6-13-22(20)26)25-17-21-12-5-7-14-24(21)27(25)3;1-18-10-8-9-15-28(18)24-16-20-11-4-6-13-22(20)26(19(24)2)25-17-21-12-5-7-14-23(21)27(25)3/h2*4-17H,1-3H3/q2*+1.
What are the key properties of 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole?
1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole has a molecular weight of 726.97 g/mol, XLogP of 11.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indole;1-methyl-2-[3-methyl-4-(2-methylpyridin-1-ium-1-yl)naphthalen-2-yl]indole is sourced from PubChem (CID 160813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).