1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole

C20H18N2 — CID 150354253

IUPAC1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
SMILESCC(C)c1ccccc1-c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H18N2/c1-13(2)14-7-3-4-9-16(14)19-20-17(11-12-21-19)15-8-5-6-10-18(15)22-20/h3-13,22H,1-2H3
InChIKeyGUJOBAKHHZOTRW-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.51
Rot. Bonds2

About 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole

1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole (PubChem CID 150354253) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
PubChem CID150354253
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
SMILESCC(C)c1ccccc1-c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H18N2/c1-13(2)14-7-3-4-9-16(14)19-20-17(11-12-21-19)15-8-5-6-10-18(15)22-20/h3-13,22H,1-2H3
InChIKeyGUJOBAKHHZOTRW-UHFFFAOYSA-N
XLogP5.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
1-[2,4,6-tri(propan-2-yl)phenyl]-9H-carbazole
CID 175005160
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 132601824
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060
3-(9H-pyrido[3,4-b]indol-1-yl)phenol
CID 46244084
bis(1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole);propan-2-one
CID 139046282
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole (CID 150354253) is 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole is CC(C)c1ccccc1-c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is GUJOBAKHHZOTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-13(2)14-7-3-4-9-16(14)19-20-17(11-12-21-19)15-8-5-6-10-18(15)22-20/h3-13,22H,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole?
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 286.38 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 150354253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).