3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol

C40H32O2 — CID 134212470

IUPAC3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol
SMILESCC1(c2ccccc2-c2cccc(O)c2)c2ccccc2C(C)(c2ccccc2-c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C40H32O2/c1-39(33-19-5-3-17-31(33)27-13-11-15-29(41)25-27)35-21-7-9-23-37(35)40(2,38-24-10-8-22-36(38)39)34-20-6-4-18-32(34)28-14-12-16-30(42)26-28/h3-26,41-42H,1-2H3
InChIKeyKQMISERBRGWDKP-UHFFFAOYSA-N
MW544.69 g/mol
LogP9.45
Rot. Bonds4

About 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol

3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol (PubChem CID 134212470) has the molecular formula C40H32O2 and a molecular weight of 544.69 g/mol. Its IUPAC name is 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol.

Molecular Properties

Compound Name3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol
PubChem CID134212470
Molecular FormulaC40H32O2
Molecular Weight544.69 g/mol
Exact Mass544.24
IUPAC Name3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol
SMILESCC1(c2ccccc2-c2cccc(O)c2)c2ccccc2C(C)(c2ccccc2-c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C40H32O2/c1-39(33-19-5-3-17-31(33)27-13-11-15-29(41)25-27)35-21-7-9-23-37(35)40(2,38-24-10-8-22-36(38)39)34-20-6-4-18-32(34)28-14-12-16-30(42)26-28/h3-26,41-42H,1-2H3
InChIKeyKQMISERBRGWDKP-UHFFFAOYSA-N
XLogP9.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol with MolForge

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Related Compounds

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3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
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CID 101119071
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CID 139763910
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CID 142088616
3-(2,4-dimethylphenyl)phenol
CID 53218508
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol?
The IUPAC name of 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol (CID 134212470) is 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol.
What is the SMILES notation for 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol?
The canonical SMILES for 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol is CC1(c2ccccc2-c2cccc(O)c2)c2ccccc2C(C)(c2ccccc2-c2cccc(O)c2)c2ccccc21.
What is the InChIKey of 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol?
The InChIKey is KQMISERBRGWDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32O2/c1-39(33-19-5-3-17-31(33)27-13-11-15-29(41)25-27)35-21-7-9-23-37(35)40(2,38-24-10-8-22-36(38)39)34-20-6-4-18-32(34)28-14-12-16-30(42)26-28/h3-26,41-42H,1-2H3.
What are the key properties of 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol?
3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol has a molecular weight of 544.69 g/mol, XLogP of 9.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[10-[2-(3-hydroxyphenyl)phenyl]-9,10-dimethylanthracen-9-yl]phenyl]phenol is sourced from PubChem (CID 134212470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).