2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline

C38H38N2 — CID 167424006

IUPAC2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline
SMILESc1ccc(C(Nc2c(C3CCCC3)cccc2C2CCCC2)c2cccc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C38H38N2/c1-2-18-30(19-3-1)37(36-26-12-25-35(39-36)34-24-10-20-27-13-8-9-21-31(27)34)40-38-32(28-14-4-5-15-28)22-11-23-33(38)29-16-6-7-17-29/h1-3,8-13,18-26,28-29,37,40H,4-7,14-17H2
InChIKeyMMHLXYHDXKRSDE-UHFFFAOYSA-N
MW522.74 g/mol
LogP10.42
Rot. Bonds7

About 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline

2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline (PubChem CID 167424006) has the molecular formula C38H38N2 and a molecular weight of 522.74 g/mol. Its IUPAC name is 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline.

Molecular Properties

Compound Name2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline
PubChem CID167424006
Molecular FormulaC38H38N2
Molecular Weight522.74 g/mol
Exact Mass522.30
IUPAC Name2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline
SMILESc1ccc(C(Nc2c(C3CCCC3)cccc2C2CCCC2)c2cccc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C38H38N2/c1-2-18-30(19-3-1)37(36-26-12-25-35(39-36)34-24-10-20-27-13-8-9-21-31(27)34)40-38-32(28-14-4-5-15-28)22-11-23-33(38)29-16-6-7-17-29/h1-3,8-13,18-26,28-29,37,40H,4-7,14-17H2
InChIKeyMMHLXYHDXKRSDE-UHFFFAOYSA-N
XLogP10.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.74
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]propan-2-amine
CID 155246112
(6-naphthalen-1-yl-2-pyridinyl)-phenylmethanamine
CID 142140341
N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 167424007
2-methyl-N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]propan-2-amine;2-methyl-N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]propan-2-amine;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-naphthalen-1-ylmethyl]-2,6-di(propan-2-yl)aniline;N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-phenylphenyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 161443365
4-[[3-[[2,6-di(propan-2-yl)anilino]-(6-naphthalen-1-yl-2-pyridinyl)methyl]-5-methylphenyl]methyl]-N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline
CID 142140323
N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline
CID 153345248
2-chloro-6-(2-cyclobutylphenyl)pyridine
CID 114606707
N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine
CID 132837921
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-diethylaniline;2,6-diethyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;2,6-diethyl-N-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159661438
N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
CID 20637516
carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 162281036
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline?
The IUPAC name of 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline (CID 167424006) is 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline.
What is the SMILES notation for 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline?
The canonical SMILES for 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline is c1ccc(C(Nc2c(C3CCCC3)cccc2C2CCCC2)c2cccc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline?
The InChIKey is MMHLXYHDXKRSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2/c1-2-18-30(19-3-1)37(36-26-12-25-35(39-36)34-24-10-20-27-13-8-9-21-31(27)34)40-38-32(28-14-4-5-15-28)22-11-23-33(38)29-16-6-7-17-29/h1-3,8-13,18-26,28-29,37,40H,4-7,14-17H2.
What are the key properties of 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline?
2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline has a molecular weight of 522.74 g/mol, XLogP of 10.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline is sourced from PubChem (CID 167424006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).