2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole

C17H16N2 — CID 15232193

IUPAC2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc3[nH]c4c(c3n2)CCCC4)cc1
InChIInChI=1S/C17H16N2/c1-2-6-12(7-3-1)14-10-11-16-17(19-14)13-8-4-5-9-15(13)18-16/h1-3,6-7,10-11,18H,4-5,8-9H2
InChIKeyXKGHNAZRLNNKSP-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.11
Rot. Bonds1

About 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole

2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole (PubChem CID 15232193) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole
PubChem CID15232193
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc3[nH]c4c(c3n2)CCCC4)cc1
InChIInChI=1S/C17H16N2/c1-2-6-12(7-3-1)14-10-11-16-17(19-14)13-8-4-5-9-15(13)18-16/h1-3,6-7,10-11,18H,4-5,8-9H2
InChIKeyXKGHNAZRLNNKSP-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole?
The IUPAC name of 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole (CID 15232193) is 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole?
The canonical SMILES for 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole is c1ccc(-c2ccc3[nH]c4c(c3n2)CCCC4)cc1.
What is the InChIKey of 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole?
The InChIKey is XKGHNAZRLNNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-12(7-3-1)14-10-11-16-17(19-14)13-8-4-5-9-15(13)18-16/h1-3,6-7,10-11,18H,4-5,8-9H2.
What are the key properties of 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole?
2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole has a molecular weight of 248.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 15232193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).