2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone

C26H22O — CID 56956568

IUPAC2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
SMILESCc1ccc(C(C(=O)c2ccc3ccccc3c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H22O/c1-18-7-11-21(12-8-18)25(22-13-9-19(2)10-14-22)26(27)24-16-15-20-5-3-4-6-23(20)17-24/h3-17,25H,1-2H3
InChIKeyBTFRPSIYDANJES-UHFFFAOYSA-N
MW350.46 g/mol
LogP6.47
Rot. Bonds4

About 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone

2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone (PubChem CID 56956568) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
PubChem CID56956568
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
SMILESCc1ccc(C(C(=O)c2ccc3ccccc3c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H22O/c1-18-7-11-21(12-8-18)25(22-13-9-19(2)10-14-22)26(27)24-16-15-20-5-3-4-6-23(20)17-24/h3-17,25H,1-2H3
InChIKeyBTFRPSIYDANJES-UHFFFAOYSA-N
XLogP6.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
CID 102341898
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 102318712
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
2-methyl-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 13199366
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
anthracene;4-methylbenzoic acid
CID 175030135
(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 781909

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone?
The IUPAC name of 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone (CID 56956568) is 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone is Cc1ccc(C(C(=O)c2ccc3ccccc3c2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone?
The InChIKey is BTFRPSIYDANJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-18-7-11-21(12-8-18)25(22-13-9-19(2)10-14-22)26(27)24-16-15-20-5-3-4-6-23(20)17-24/h3-17,25H,1-2H3.
What are the key properties of 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone?
2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone has a molecular weight of 350.46 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 56956568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).