9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole

C21H20N2 — CID 126583667

IUPAC9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole
SMILESCc1cc(-c2nccc3c4ccccc4n(C)c23)cc(C)c1C
InChIInChI=1S/C21H20N2/c1-13-11-16(12-14(2)15(13)3)20-21-18(9-10-22-20)17-7-5-6-8-19(17)23(21)4/h5-12H,1-4H3
InChIKeyUKJAUZBSCQPBIO-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.32
Rot. Bonds1

About 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole

9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole (PubChem CID 126583667) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole
PubChem CID126583667
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole
SMILESCc1cc(-c2nccc3c4ccccc4n(C)c23)cc(C)c1C
InChIInChI=1S/C21H20N2/c1-13-11-16(12-14(2)15(13)3)20-21-18(9-10-22-20)17-7-5-6-8-19(17)23(21)4/h5-12H,1-4H3
InChIKeyUKJAUZBSCQPBIO-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole?
The IUPAC name of 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole (CID 126583667) is 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole is Cc1cc(-c2nccc3c4ccccc4n(C)c23)cc(C)c1C.
What is the InChIKey of 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole?
The InChIKey is UKJAUZBSCQPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-13-11-16(12-14(2)15(13)3)20-21-18(9-10-22-20)17-7-5-6-8-19(17)23(21)4/h5-12H,1-4H3.
What are the key properties of 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole?
9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole has a molecular weight of 300.41 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole is sourced from PubChem (CID 126583667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).