2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol

C38H26Br2O2 — CID 20771540

IUPAC2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccc(Br)cc2C(O)(c2ccccc2-c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C38H26Br2O2/c39-27-20-22-34-35(23-27)37(41,31-17-9-7-15-29(31)25-11-3-1-4-12-25)33-21-19-28(40)24-36(33)38(34,42)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-24,41-42H
InChIKeyYMUJNESBBOIPRM-UHFFFAOYSA-N
MW674.43 g/mol
LogP9.43
Rot. Bonds4

About 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol

2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol (PubChem CID 20771540) has the molecular formula C38H26Br2O2 and a molecular weight of 674.43 g/mol. Its IUPAC name is 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol.

Molecular Properties

Compound Name2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol
PubChem CID20771540
Molecular FormulaC38H26Br2O2
Molecular Weight674.43 g/mol
Exact Mass672.03
IUPAC Name2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccc(Br)cc2C(O)(c2ccccc2-c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C38H26Br2O2/c39-27-20-22-34-35(23-27)37(41,31-17-9-7-15-29(31)25-11-3-1-4-12-25)33-21-19-28(40)24-36(33)38(34,42)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-24,41-42H
InChIKeyYMUJNESBBOIPRM-UHFFFAOYSA-N
XLogP9.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.43
LogP ≤ 59.43
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
[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
2-Bromo-9,10-bis(trifluoromethyl)anthracene-9,10-diol
CID 89762512

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
The IUPAC name of 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol (CID 20771540) is 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol.
What is the SMILES notation for 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
The canonical SMILES for 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol is OC1(c2ccccc2-c2ccccc2)c2ccc(Br)cc2C(O)(c2ccccc2-c2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
The InChIKey is YMUJNESBBOIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Br2O2/c39-27-20-22-34-35(23-27)37(41,31-17-9-7-15-29(31)25-11-3-1-4-12-25)33-21-19-28(40)24-36(33)38(34,42)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-24,41-42H.
What are the key properties of 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol?
2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol has a molecular weight of 674.43 g/mol, XLogP of 9.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-9,10-bis(2-phenylphenyl)anthracene-9,10-diol is sourced from PubChem (CID 20771540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).