9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol

C42H28O — CID 89327969

IUPAC9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol
SMILESOc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C42H28O/c43-34-22-23-39-40(27-34)41(33-25-31(28-12-3-1-4-13-28)24-32(26-33)29-14-5-2-6-15-29)37-19-9-10-20-38(37)42(39)36-21-11-17-30-16-7-8-18-35(30)36/h1-27,43H
InChIKeyAMCKBYCHCYEOIQ-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.52
Rot. Bonds4

About 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol

9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol (PubChem CID 89327969) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol
PubChem CID89327969
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol
SMILESOc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C42H28O/c43-34-22-23-39-40(27-34)41(33-25-31(28-12-3-1-4-13-28)24-32(26-33)29-14-5-2-6-15-29)37-19-9-10-20-38(37)42(39)36-21-11-17-30-16-7-8-18-35(30)36/h1-27,43H
InChIKeyAMCKBYCHCYEOIQ-UHFFFAOYSA-N
XLogP11.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol?
The IUPAC name of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol (CID 89327969) is 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol?
The canonical SMILES for 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol is Oc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol?
The InChIKey is AMCKBYCHCYEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c43-34-22-23-39-40(27-34)41(33-25-31(28-12-3-1-4-13-28)24-32(26-33)29-14-5-2-6-15-29)37-19-9-10-20-38(37)42(39)36-21-11-17-30-16-7-8-18-35(30)36/h1-27,43H.
What are the key properties of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol?
9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol has a molecular weight of 548.69 g/mol, XLogP of 11.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol is sourced from PubChem (CID 89327969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).