1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium

C26H23N2+ — CID 159465411

IUPAC1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium
SMILESCc1ccc(-c2cc3c4ccccc4n(-c4ccccc4C)c3[n+](C)c2)cc1
InChIInChI=1S/C26H23N2/c1-18-12-14-20(15-13-18)21-16-23-22-9-5-7-11-25(22)28(26(23)27(3)17-21)24-10-6-4-8-19(24)2/h4-17H,1-3H3/q+1
InChIKeyBUYYRWMJNUHWGF-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.89
Rot. Bonds2

About 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium

1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium (PubChem CID 159465411) has the molecular formula C26H23N2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium.

Molecular Properties

Compound Name1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium
PubChem CID159465411
Molecular FormulaC26H23N2+
Molecular Weight363.48 g/mol
Exact Mass363.19
IUPAC Name1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium
SMILESCc1ccc(-c2cc3c4ccccc4n(-c4ccccc4C)c3[n+](C)c2)cc1
InChIInChI=1S/C26H23N2/c1-18-12-14-20(15-13-18)21-16-23-22-9-5-7-11-25(22)28(26(23)27(3)17-21)24-10-6-4-8-19(24)2/h4-17H,1-3H3/q+1
InChIKeyBUYYRWMJNUHWGF-UHFFFAOYSA-N
XLogP5.89
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
3-(4-benzylphenyl)-9-(2-methylphenyl)carbazole
CID 157348806
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
9-(2,4-dimethylphenyl)-2-[9-(2,4-dimethylphenyl)carbazol-2-yl]carbazole
CID 59935132
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-[4-carbazol-9-yl-2-[4-(4-methylphenyl)phenyl]phenyl]carbazole
CID 59742203

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium?
The IUPAC name of 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium (CID 159465411) is 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium.
What is the SMILES notation for 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium?
The canonical SMILES for 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium is Cc1ccc(-c2cc3c4ccccc4n(-c4ccccc4C)c3[n+](C)c2)cc1.
What is the InChIKey of 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium?
The InChIKey is BUYYRWMJNUHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2/c1-18-12-14-20(15-13-18)21-16-23-22-9-5-7-11-25(22)28(26(23)27(3)17-21)24-10-6-4-8-19(24)2/h4-17H,1-3H3/q+1.
What are the key properties of 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium?
1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium has a molecular weight of 363.48 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium is sourced from PubChem (CID 159465411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).