9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol

C30H20Br2N2O2 — CID 121295185

IUPAC9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
SMILESOC1(c2cccc(Br)n2)c2ccccc2C(O)(c2cccc(Br)n2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C30H20Br2N2O2/c31-27-14-6-12-25(33-27)29(35)21-10-4-5-11-22(21)30(36,26-13-7-15-28(32)34-26)24-18-20(16-17-23(24)29)19-8-2-1-3-9-19/h1-18,35-36H
InChIKeyYSEDOACGOCZKAW-UHFFFAOYSA-N
MW600.31 g/mol
LogP6.55
Rot. Bonds3

About 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol

9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol (PubChem CID 121295185) has the molecular formula C30H20Br2N2O2 and a molecular weight of 600.31 g/mol. Its IUPAC name is 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol.

Molecular Properties

Compound Name9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
PubChem CID121295185
Molecular FormulaC30H20Br2N2O2
Molecular Weight600.31 g/mol
Exact Mass597.99
IUPAC Name9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
SMILESOC1(c2cccc(Br)n2)c2ccccc2C(O)(c2cccc(Br)n2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C30H20Br2N2O2/c31-27-14-6-12-25(33-27)29(35)21-10-4-5-11-22(21)30(36,26-13-7-15-28(32)34-26)24-18-20(16-17-23(24)29)19-8-2-1-3-9-19/h1-18,35-36H
InChIKeyYSEDOACGOCZKAW-UHFFFAOYSA-N
XLogP6.55
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.31
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 154704675
9-(2-bromophenyl)-2,7-diphenylfluoren-9-ol
CID 118049424
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
2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 122657844
9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol
CID 164545267
4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
CID 15531052
2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine
CID 132991958
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 140926242

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol?
The IUPAC name of 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol (CID 121295185) is 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol.
What is the SMILES notation for 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol?
The canonical SMILES for 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol is OC1(c2cccc(Br)n2)c2ccccc2C(O)(c2cccc(Br)n2)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol?
The InChIKey is YSEDOACGOCZKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br2N2O2/c31-27-14-6-12-25(33-27)29(35)21-10-4-5-11-22(21)30(36,26-13-7-15-28(32)34-26)24-18-20(16-17-23(24)29)19-8-2-1-3-9-19/h1-18,35-36H.
What are the key properties of 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol?
9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol has a molecular weight of 600.31 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol is sourced from PubChem (CID 121295185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).