2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol

C38H27BrO2 — CID 20771553

IUPAC2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C38H27BrO2/c39-28-23-24-35-36(25-28)38(41,32-20-10-8-18-30(32)27-15-5-2-6-16-27)34-22-12-11-21-33(34)37(35,40)31-19-9-7-17-29(31)26-13-3-1-4-14-26/h1-25,40-41H
InChIKeyWSXZYVMBSVCMAC-UHFFFAOYSA-N
MW595.54 g/mol
LogP8.66
Rot. Bonds4

About 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol

2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol (PubChem CID 20771553) has the molecular formula C38H27BrO2 and a molecular weight of 595.54 g/mol. Its IUPAC name is 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol.

Molecular Properties

Compound Name2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol
PubChem CID20771553
Molecular FormulaC38H27BrO2
Molecular Weight595.54 g/mol
Exact Mass594.12
IUPAC Name2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C38H27BrO2/c39-28-23-24-35-36(25-28)38(41,32-20-10-8-18-30(32)27-15-5-2-6-16-27)34-22-12-11-21-33(34)37(35,40)31-19-9-7-17-29(31)26-13-3-1-4-14-26/h1-25,40-41H
InChIKeyWSXZYVMBSVCMAC-UHFFFAOYSA-N
XLogP8.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.54
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-Anthracenediol, 9,10-dihydro-9,10-diphenyl-
CID 94976
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
(1R,2R,4aS,8aS)-1-[(E,3R)-5-(10-bromoanthracen-9-yl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735718
9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene
CID 85775
[17-Bromo-26-(hydroxymethyl)-7-heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,7,10,13,15,17,19,21(30),22,24(29),25,27-pentadecaenyl]methanol
CID 134864958
5,6,11,12-Tetraphenyltetracene-5,12-diol
CID 323121
3,6-Dibromo-9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol
CID 13659222
9,10-Bis(4-methylphenyl)-9,10-dihydroanthracene-9,10-diol
CID 15612352
1,4-Bis(4-bromophenyl)cyclohexane-1,4-diol
CID 68310601
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 22709066
2-Bromo-9,10-bis(4-fluorophenyl)-9,10-dihydro-9,10-anthracenediol
CID 59211150
2,6-Dibromo-9,10-bis(trifluoromethyl)anthracene-9,10-diol
CID 89762506

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
The IUPAC name of 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol (CID 20771553) is 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol.
What is the SMILES notation for 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
The canonical SMILES for 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol is OC1(c2ccccc2-c2ccccc2)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
The InChIKey is WSXZYVMBSVCMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27BrO2/c39-28-23-24-35-36(25-28)38(41,32-20-10-8-18-30(32)27-15-5-2-6-16-27)34-22-12-11-21-33(34)37(35,40)31-19-9-7-17-29(31)26-13-3-1-4-14-26/h1-25,40-41H.
What are the key properties of 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol has a molecular weight of 595.54 g/mol, XLogP of 8.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol is sourced from PubChem (CID 20771553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).