bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone

C35H24Br2O — CID 151483377

IUPACbis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone
SMILESCc1cc(-c2ccc(Br)cc2)c(C(=O)c2c(-c3ccc(Br)cc3)cc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C35H24Br2O/c1-21-19-31(23-11-15-25(36)16-12-23)33(29-9-5-3-7-27(21)29)35(38)34-30-10-6-4-8-28(30)22(2)20-32(34)24-13-17-26(37)18-14-24/h3-20H,1-2H3
InChIKeyPMXWXPDCXGWAOL-UHFFFAOYSA-N
MW620.38 g/mol
LogP10.70
Rot. Bonds4

About bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone

bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone (PubChem CID 151483377) has the molecular formula C35H24Br2O and a molecular weight of 620.38 g/mol. Its IUPAC name is bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone.

Molecular Properties

Compound Namebis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone
PubChem CID151483377
Molecular FormulaC35H24Br2O
Molecular Weight620.38 g/mol
Exact Mass618.02
IUPAC Namebis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone
SMILESCc1cc(-c2ccc(Br)cc2)c(C(=O)c2c(-c3ccc(Br)cc3)cc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C35H24Br2O/c1-21-19-31(23-11-15-25(36)16-12-23)33(29-9-5-3-7-27(21)29)35(38)34-30-10-6-4-8-28(30)22(2)20-32(34)24-13-17-26(37)18-14-24/h3-20H,1-2H3
InChIKeyPMXWXPDCXGWAOL-UHFFFAOYSA-N
XLogP10.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.38
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone?
The IUPAC name of bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone (CID 151483377) is bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone.
What is the SMILES notation for bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone?
The canonical SMILES for bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone is Cc1cc(-c2ccc(Br)cc2)c(C(=O)c2c(-c3ccc(Br)cc3)cc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone?
The InChIKey is PMXWXPDCXGWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24Br2O/c1-21-19-31(23-11-15-25(36)16-12-23)33(29-9-5-3-7-27(21)29)35(38)34-30-10-6-4-8-28(30)22(2)20-32(34)24-13-17-26(37)18-14-24/h3-20H,1-2H3.
What are the key properties of bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone?
bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone has a molecular weight of 620.38 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone is sourced from PubChem (CID 151483377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).