1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium

C19H17N2+ — CID 170272131

IUPAC1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium
SMILESCn1c2ccccc2c2ccc(-c3ccccc3)[n+](C)c21
InChIInChI=1S/C19H17N2/c1-20-17(14-8-4-3-5-9-14)13-12-16-15-10-6-7-11-18(15)21(2)19(16)20/h3-13H,1-2H3/q+1
InChIKeyQWYFICAFJZFABH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.82
Rot. Bonds1

About 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium

1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium (PubChem CID 170272131) has the molecular formula C19H17N2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium.

Molecular Properties

Compound Name1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium
PubChem CID170272131
Molecular FormulaC19H17N2+
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium
SMILESCn1c2ccccc2c2ccc(-c3ccccc3)[n+](C)c21
InChIInChI=1S/C19H17N2/c1-20-17(14-8-4-3-5-9-14)13-12-16-15-10-6-7-11-18(15)21(2)19(16)20/h3-13H,1-2H3/q+1
InChIKeyQWYFICAFJZFABH-UHFFFAOYSA-N
XLogP3.82
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.82
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

5,6-dimethylindolo[2,3-b]quinolin-5-ium
CID 2750305
ethane;bis(9-methylcarbazole)
CID 159710949
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
ethane;9-methylcarbazole;triphenylene
CID 142356751
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
1-methyl-2,3-diphenylindole
CID 11426096
11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
9H-carbazole;9-methylcarbazole
CID 142567226
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
2-iodo-1-methyl-3-phenylindole
CID 76846489
9-methyl-3-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-3-yl]carbazole
CID 58435192

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium?
The IUPAC name of 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium (CID 170272131) is 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium.
What is the SMILES notation for 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium?
The canonical SMILES for 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium is Cn1c2ccccc2c2ccc(-c3ccccc3)[n+](C)c21.
What is the InChIKey of 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium?
The InChIKey is QWYFICAFJZFABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2/c1-20-17(14-8-4-3-5-9-14)13-12-16-15-10-6-7-11-18(15)21(2)19(16)20/h3-13H,1-2H3/q+1.
What are the key properties of 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium?
1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium has a molecular weight of 273.36 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium is sourced from PubChem (CID 170272131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).