9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol

C36H24N2O — CID 153103344

IUPAC9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol
SMILESOc1ccc2c(-c3ccc(-c4ccccn4)cc3)c3ccccc3c(-c3ccc(-c4ccccn4)cc3)c2c1
InChIInChI=1S/C36H24N2O/c39-28-19-20-31-32(23-28)36(27-17-13-25(14-18-27)34-10-4-6-22-38-34)30-8-2-1-7-29(30)35(31)26-15-11-24(12-16-26)33-9-3-5-21-37-33/h1-23,39H
InChIKeyVRMRGYBDDUSQLF-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.16
Rot. Bonds4

About 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol

9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol (PubChem CID 153103344) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol.

Molecular Properties

Compound Name9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol
PubChem CID153103344
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol
SMILESOc1ccc2c(-c3ccc(-c4ccccn4)cc3)c3ccccc3c(-c3ccc(-c4ccccn4)cc3)c2c1
InChIInChI=1S/C36H24N2O/c39-28-19-20-31-32(23-28)36(27-17-13-25(14-18-27)34-10-4-6-22-38-34)30-8-2-1-7-29(30)35(31)26-15-11-24(12-16-26)33-9-3-5-21-37-33/h1-23,39H
InChIKeyVRMRGYBDDUSQLF-UHFFFAOYSA-N
XLogP9.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-pyridin-4-yl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]pyridine
CID 153170938
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
10-pyridin-2-ylphenanthren-9-ol
CID 135973428
2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445841
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol?
The IUPAC name of 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol (CID 153103344) is 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol.
What is the SMILES notation for 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol?
The canonical SMILES for 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol is Oc1ccc2c(-c3ccc(-c4ccccn4)cc3)c3ccccc3c(-c3ccc(-c4ccccn4)cc3)c2c1.
What is the InChIKey of 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol?
The InChIKey is VRMRGYBDDUSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c39-28-19-20-31-32(23-28)36(27-17-13-25(14-18-27)34-10-4-6-22-38-34)30-8-2-1-7-29(30)35(31)26-15-11-24(12-16-26)33-9-3-5-21-37-33/h1-23,39H.
What are the key properties of 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol?
9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol has a molecular weight of 500.60 g/mol, XLogP of 9.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol is sourced from PubChem (CID 153103344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).