2-benzyl-1,4-dimethyl-3-phenylnaphthalene

C25H22 — CID 102201254

IUPAC2-benzyl-1,4-dimethyl-3-phenylnaphthalene
SMILESCc1c(Cc2ccccc2)c(-c2ccccc2)c(C)c2ccccc12
InChIInChI=1S/C25H22/c1-18-22-15-9-10-16-23(22)19(2)25(21-13-7-4-8-14-21)24(18)17-20-11-5-3-6-12-20/h3-16H,17H2,1-2H3
InChIKeyXFUJGXNLAOFHGB-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.71
Rot. Bonds3

About 2-benzyl-1,4-dimethyl-3-phenylnaphthalene

2-benzyl-1,4-dimethyl-3-phenylnaphthalene (PubChem CID 102201254) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-benzyl-1,4-dimethyl-3-phenylnaphthalene.

Molecular Properties

Compound Name2-benzyl-1,4-dimethyl-3-phenylnaphthalene
PubChem CID102201254
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name2-benzyl-1,4-dimethyl-3-phenylnaphthalene
SMILESCc1c(Cc2ccccc2)c(-c2ccccc2)c(C)c2ccccc12
InChIInChI=1S/C25H22/c1-18-22-15-9-10-16-23(22)19(2)25(21-13-7-4-8-14-21)24(18)17-20-11-5-3-6-12-20/h3-16H,17H2,1-2H3
InChIKeyXFUJGXNLAOFHGB-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9-benzylxanthen-10-ium
CID 12557009
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
4-benzyl-2,3-dimethylnaphthalen-1-ol
CID 141076529
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
(1,4-dimethyl-3-phenyltriphenylen-2-yl)methanol
CID 71733889
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
2,9-dimethyl-10-phenylanthracene
CID 58435289
14-benzyl-5-methyl-12,13,16,21,23-pentakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2(30),3,5,7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene
CID 59342646
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
3-benzyl-7,8-dihydroxy-4-methylchromen-2-one
CID 5428528

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,4-dimethyl-3-phenylnaphthalene?
The IUPAC name of 2-benzyl-1,4-dimethyl-3-phenylnaphthalene (CID 102201254) is 2-benzyl-1,4-dimethyl-3-phenylnaphthalene.
What is the SMILES notation for 2-benzyl-1,4-dimethyl-3-phenylnaphthalene?
The canonical SMILES for 2-benzyl-1,4-dimethyl-3-phenylnaphthalene is Cc1c(Cc2ccccc2)c(-c2ccccc2)c(C)c2ccccc12.
What is the InChIKey of 2-benzyl-1,4-dimethyl-3-phenylnaphthalene?
The InChIKey is XFUJGXNLAOFHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-18-22-15-9-10-16-23(22)19(2)25(21-13-7-4-8-14-21)24(18)17-20-11-5-3-6-12-20/h3-16H,17H2,1-2H3.
What are the key properties of 2-benzyl-1,4-dimethyl-3-phenylnaphthalene?
2-benzyl-1,4-dimethyl-3-phenylnaphthalene has a molecular weight of 322.45 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,4-dimethyl-3-phenylnaphthalene is sourced from PubChem (CID 102201254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).