2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole

C21H20N2 — CID 140577781

IUPAC2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole
SMILESCCn1c2ccccc2c2ccc(-c3cc(C)cc(C)c3)nc21
InChIInChI=1S/C21H20N2/c1-4-23-20-8-6-5-7-17(20)18-9-10-19(22-21(18)23)16-12-14(2)11-15(3)13-16/h5-13H,4H2,1-3H3
InChIKeyBJIWKRYFGFAEGL-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.49
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole

2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole (PubChem CID 140577781) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole
PubChem CID140577781
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole
SMILESCCn1c2ccccc2c2ccc(-c3cc(C)cc(C)c3)nc21
InChIInChI=1S/C21H20N2/c1-4-23-20-8-6-5-7-17(20)18-9-10-19(22-21(18)23)16-12-14(2)11-15(3)13-16/h5-13H,4H2,1-3H3
InChIKeyBJIWKRYFGFAEGL-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-2-methylcarbazole
CID 19788789
2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
CID 140775651
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
9-(methoxymethyl)-2-methylpyrido[2,3-b]indole
CID 135086735
9-amino-5-ethylphenanthridin-6-one
CID 10399308
10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 153422736
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
5-ethylpyrazino[2,3-b]indole
CID 129265266
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole
CID 118199825
9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole
CID 59346192

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole?
The IUPAC name of 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole (CID 140577781) is 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole is CCn1c2ccccc2c2ccc(-c3cc(C)cc(C)c3)nc21.
What is the InChIKey of 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole?
The InChIKey is BJIWKRYFGFAEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-4-23-20-8-6-5-7-17(20)18-9-10-19(22-21(18)23)16-12-14(2)11-15(3)13-16/h5-13H,4H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole?
2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole has a molecular weight of 300.41 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole is sourced from PubChem (CID 140577781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).