9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole

C27H19N3 — CID 147630103

IUPAC9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESc1ccc(-c2nccc3c4ccccc4n(Cc4ccc5ccccc5c4)c23)nc1
InChIInChI=1S/C27H19N3/c1-2-8-21-17-19(12-13-20(21)7-1)18-30-25-11-4-3-9-22(25)23-14-16-29-26(27(23)30)24-10-5-6-15-28-24/h1-17H,18H2
InChIKeyGFNWFOGZRCWFBR-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.45
Rot. Bonds3

About 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole

9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole (PubChem CID 147630103) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
PubChem CID147630103
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESc1ccc(-c2nccc3c4ccccc4n(Cc4ccc5ccccc5c4)c23)nc1
InChIInChI=1S/C27H19N3/c1-2-8-21-17-19(12-13-20(21)7-1)18-30-25-11-4-3-9-22(25)23-14-16-29-26(27(23)30)24-10-5-6-15-28-24/h1-17H,18H2
InChIKeyGFNWFOGZRCWFBR-UHFFFAOYSA-N
XLogP6.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The IUPAC name of 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole (CID 147630103) is 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole.
What is the SMILES notation for 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The canonical SMILES for 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole is c1ccc(-c2nccc3c4ccccc4n(Cc4ccc5ccccc5c4)c23)nc1.
What is the InChIKey of 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The InChIKey is GFNWFOGZRCWFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3/c1-2-8-21-17-19(12-13-20(21)7-1)18-30-25-11-4-3-9-22(25)23-14-16-29-26(27(23)30)24-10-5-6-15-28-24/h1-17H,18H2.
What are the key properties of 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole has a molecular weight of 385.47 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole is sourced from PubChem (CID 147630103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).