1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene

C37H42 — CID 173159753

IUPAC1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene
SMILESCC(CCC1=CC(CCC(C)CCc2ccccc2)c2cccc3cccc1c23)CCc1ccccc1
InChIInChI=1S/C37H42/c1-28(19-23-30-11-5-3-6-12-30)21-25-33-27-34(26-22-29(2)20-24-31-13-7-4-8-14-31)36-18-10-16-32-15-9-17-35(33)37(32)36/h3-18,27-29,33H,19-26H2,1-2H3
InChIKeyWCYQKTBWGFJXJC-UHFFFAOYSA-N
MW486.74 g/mol
LogP10.42
Rot. Bonds12

About 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene

1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene (PubChem CID 173159753) has the molecular formula C37H42 and a molecular weight of 486.74 g/mol. Its IUPAC name is 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene.

Molecular Properties

Compound Name1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene
PubChem CID173159753
Molecular FormulaC37H42
Molecular Weight486.74 g/mol
Exact Mass486.33
IUPAC Name1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene
SMILESCC(CCC1=CC(CCC(C)CCc2ccccc2)c2cccc3cccc1c23)CCc1ccccc1
InChIInChI=1S/C37H42/c1-28(19-23-30-11-5-3-6-12-30)21-25-33-27-34(26-22-29(2)20-24-31-13-7-4-8-14-31)36-18-10-16-32-15-9-17-35(33)37(32)36/h3-18,27-29,33H,19-26H2,1-2H3
InChIKeyWCYQKTBWGFJXJC-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
ethene;3-methylbutylbenzene
CID 145421013
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
(3-methyl-4-methylperoxybutyl)benzene
CID 88945155
(3R)-3-[(1R)-1-hydroxy-3-phenylpropyl]-2-(1-naphthalen-1-ylethyl)-3H-isoindol-1-one
CID 101021483
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
5-(4-benzylphenyl)-3-methylpentan-1-amine
CID 65305469
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
(3R)-3-methoxy-2-[(2S)-4-phenylbutan-2-yl]-3H-isoindol-1-one
CID 28685732
5-[4-(2-methoxyphenyl)phenyl]-3-methylpentan-1-amine
CID 82542712
(2S)-4-phenylbutan-2-amine
CID 6994564

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene?
The IUPAC name of 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene (CID 173159753) is 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene.
What is the SMILES notation for 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene?
The canonical SMILES for 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene is CC(CCC1=CC(CCC(C)CCc2ccccc2)c2cccc3cccc1c23)CCc1ccccc1.
What is the InChIKey of 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene?
The InChIKey is WCYQKTBWGFJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42/c1-28(19-23-30-11-5-3-6-12-30)21-25-33-27-34(26-22-29(2)20-24-31-13-7-4-8-14-31)36-18-10-16-32-15-9-17-35(33)37(32)36/h3-18,27-29,33H,19-26H2,1-2H3.
What are the key properties of 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene?
1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene has a molecular weight of 486.74 g/mol, XLogP of 10.42, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methyl-5-phenylpentyl)-1H-phenalene is sourced from PubChem (CID 173159753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).