1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine

C28H27N3 — CID 66766518

IUPAC1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine
SMILESCCC(N)CCc1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C28H27N3/c1-2-23(29)13-14-24-15-16-25-26-18-22(12-17-27(26)31-28(25)30-24)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-12,15-18,23H,2,13-14,29H2,1H3,(H,30,31)
InChIKeyCAVMTYUTEXFOFL-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.72
Rot. Bonds6

About 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine

1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine (PubChem CID 66766518) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine
PubChem CID66766518
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine
SMILESCCC(N)CCc1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C28H27N3/c1-2-23(29)13-14-24-15-16-25-26-18-22(12-17-27(26)31-28(25)30-24)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-12,15-18,23H,2,13-14,29H2,1H3,(H,30,31)
InChIKeyCAVMTYUTEXFOFL-UHFFFAOYSA-N
XLogP6.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine?
The IUPAC name of 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine (CID 66766518) is 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine.
What is the SMILES notation for 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine?
The canonical SMILES for 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine is CCC(N)CCc1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine?
The InChIKey is CAVMTYUTEXFOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-2-23(29)13-14-24-15-16-25-26-18-22(12-17-27(26)31-28(25)30-24)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-12,15-18,23H,2,13-14,29H2,1H3,(H,30,31).
What are the key properties of 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine?
1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine has a molecular weight of 405.55 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-phenylphenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-3-amine is sourced from PubChem (CID 66766518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).