7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one

C34H22O2 — CID 163498039

IUPAC7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one
SMILESO=C1c2ccccc2C(O)(c2ccc3cc(-c4ccccc4)ccc3c2)c2ccc3ccccc3c21
InChIInChI=1S/C34H22O2/c35-33-29-12-6-7-13-30(29)34(36,31-19-17-23-10-4-5-11-28(23)32(31)33)27-18-16-25-20-24(14-15-26(25)21-27)22-8-2-1-3-9-22/h1-21,36H
InChIKeyCSJWBGSPGHZZMD-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.49
Rot. Bonds2

About 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one

7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one (PubChem CID 163498039) has the molecular formula C34H22O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one.

Molecular Properties

Compound Name7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one
PubChem CID163498039
Molecular FormulaC34H22O2
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one
SMILESO=C1c2ccccc2C(O)(c2ccc3cc(-c4ccccc4)ccc3c2)c2ccc3ccccc3c21
InChIInChI=1S/C34H22O2/c35-33-29-12-6-7-13-30(29)34(36,31-19-17-23-10-4-5-11-28(23)32(31)33)27-18-16-25-20-24(14-15-26(25)21-27)22-8-2-1-3-9-22/h1-21,36H
InChIKeyCSJWBGSPGHZZMD-UHFFFAOYSA-N
XLogP7.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol
CID 159047940
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one?
The IUPAC name of 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one (CID 163498039) is 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one.
What is the SMILES notation for 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one?
The canonical SMILES for 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one is O=C1c2ccccc2C(O)(c2ccc3cc(-c4ccccc4)ccc3c2)c2ccc3ccccc3c21.
What is the InChIKey of 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one?
The InChIKey is CSJWBGSPGHZZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O2/c35-33-29-12-6-7-13-30(29)34(36,31-19-17-23-10-4-5-11-28(23)32(31)33)27-18-16-25-20-24(14-15-26(25)21-27)22-8-2-1-3-9-22/h1-21,36H.
What are the key properties of 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one?
7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one has a molecular weight of 462.55 g/mol, XLogP of 7.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one is sourced from PubChem (CID 163498039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).