1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one

C37H30O2 — CID 139885542

IUPAC1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc2cc(-c3ccccc3)ccc2c(-c2cccc3cc(-c4ccccc4)ccc23)c1O
InChIInChI=1S/C37H30O2/c1-24(2)20-35(38)34-23-30-22-28(26-12-7-4-8-13-26)17-19-32(30)36(37(34)39)33-15-9-14-29-21-27(16-18-31(29)33)25-10-5-3-6-11-25/h3-19,21-24,39H,20H2,1-2H3
InChIKeyZGZCLIFGUSYMBV-UHFFFAOYSA-N
MW506.65 g/mol
LogP9.93
Rot. Bonds6

About 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one

1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one (PubChem CID 139885542) has the molecular formula C37H30O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one
PubChem CID139885542
Molecular FormulaC37H30O2
Molecular Weight506.65 g/mol
Exact Mass506.22
IUPAC Name1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc2cc(-c3ccccc3)ccc2c(-c2cccc3cc(-c4ccccc4)ccc23)c1O
InChIInChI=1S/C37H30O2/c1-24(2)20-35(38)34-23-30-22-28(26-12-7-4-8-13-26)17-19-32(30)36(37(34)39)33-15-9-14-29-21-27(16-18-31(29)33)25-10-5-3-6-11-25/h3-19,21-24,39H,20H2,1-2H3
InChIKeyZGZCLIFGUSYMBV-UHFFFAOYSA-N
XLogP9.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 59.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one
CID 139885546
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
1-(3-chloro-2-hydroxy-5-phenylphenyl)-3-methylbutan-1-one
CID 63489906
1-[7-bromo-4-(6-bromonaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]octan-1-one
CID 139885560
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
CID 156677059
2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate
CID 158566083
6-phenyl-1-propan-2-ylnaphthalene
CID 176757319

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one (CID 139885542) is 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one is CC(C)CC(=O)c1cc2cc(-c3ccccc3)ccc2c(-c2cccc3cc(-c4ccccc4)ccc23)c1O.
What is the InChIKey of 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one?
The InChIKey is ZGZCLIFGUSYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O2/c1-24(2)20-35(38)34-23-30-22-28(26-12-7-4-8-13-26)17-19-32(30)36(37(34)39)33-15-9-14-29-21-27(16-18-31(29)33)25-10-5-3-6-11-25/h3-19,21-24,39H,20H2,1-2H3.
What are the key properties of 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one?
1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one has a molecular weight of 506.65 g/mol, XLogP of 9.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one is sourced from PubChem (CID 139885542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).