naphthalene;2-(10-phenylanthracen-9-yl)phenol

C36H26O — CID 157129237

IUPACnaphthalene;2-(10-phenylanthracen-9-yl)phenol
SMILESOc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc2ccccc2c1
InChIInChI=1S/C26H18O.C10H8/c27-24-17-9-8-16-23(24)26-21-14-6-4-12-19(21)25(18-10-2-1-3-11-18)20-13-5-7-15-22(20)26;1-2-6-10-8-4-3-7-9(10)5-1/h1-17,27H;1-8H
InChIKeyAIWBHKMXQKKXSE-UHFFFAOYSA-N
MW474.60 g/mol
LogP9.87
Rot. Bonds2

About naphthalene;2-(10-phenylanthracen-9-yl)phenol

naphthalene;2-(10-phenylanthracen-9-yl)phenol (PubChem CID 157129237) has the molecular formula C36H26O and a molecular weight of 474.60 g/mol. Its IUPAC name is naphthalene;2-(10-phenylanthracen-9-yl)phenol.

Molecular Properties

Compound Namenaphthalene;2-(10-phenylanthracen-9-yl)phenol
PubChem CID157129237
Molecular FormulaC36H26O
Molecular Weight474.60 g/mol
Exact Mass474.20
IUPAC Namenaphthalene;2-(10-phenylanthracen-9-yl)phenol
SMILESOc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc2ccccc2c1
InChIInChI=1S/C26H18O.C10H8/c27-24-17-9-8-16-23(24)26-21-14-6-4-12-19(21)25(18-10-2-1-3-11-18)20-13-5-7-15-22(20)26;1-2-6-10-8-4-3-7-9(10)5-1/h1-17,27H;1-8H
InChIKeyAIWBHKMXQKKXSE-UHFFFAOYSA-N
XLogP9.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 59.87
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-phenanthren-9-yl-10-phenylanthracene
CID 59592440
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553

Frequently Asked Questions

What is the IUPAC name of naphthalene;2-(10-phenylanthracen-9-yl)phenol?
The IUPAC name of naphthalene;2-(10-phenylanthracen-9-yl)phenol (CID 157129237) is naphthalene;2-(10-phenylanthracen-9-yl)phenol.
What is the SMILES notation for naphthalene;2-(10-phenylanthracen-9-yl)phenol?
The canonical SMILES for naphthalene;2-(10-phenylanthracen-9-yl)phenol is Oc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;2-(10-phenylanthracen-9-yl)phenol?
The InChIKey is AIWBHKMXQKKXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O.C10H8/c27-24-17-9-8-16-23(24)26-21-14-6-4-12-19(21)25(18-10-2-1-3-11-18)20-13-5-7-15-22(20)26;1-2-6-10-8-4-3-7-9(10)5-1/h1-17,27H;1-8H.
What are the key properties of naphthalene;2-(10-phenylanthracen-9-yl)phenol?
naphthalene;2-(10-phenylanthracen-9-yl)phenol has a molecular weight of 474.60 g/mol, XLogP of 9.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;2-(10-phenylanthracen-9-yl)phenol is sourced from PubChem (CID 157129237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).