9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene

C47H32 — CID 177264907

IUPAC9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4cccc(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C47H32/c1-2-14-33(15-3-1)39-19-7-6-17-36(39)30-46-41-20-8-10-22-43(41)47(44-23-11-9-21-42(44)46)38-28-26-34-18-12-24-40(45(34)31-38)37-27-25-32-13-4-5-16-35(32)29-37/h1-29,31H,30H2
InChIKeyONEISIFEACFEPZ-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.89
Rot. Bonds5

About 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene

9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene (PubChem CID 177264907) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene.

Molecular Properties

Compound Name9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
PubChem CID177264907
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4cccc(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C47H32/c1-2-14-33(15-3-1)39-19-7-6-17-36(39)30-46-41-20-8-10-22-43(41)47(44-23-11-9-21-42(44)46)38-28-26-34-18-12-24-40(45(34)31-38)37-27-25-32-13-4-5-16-35(32)29-37/h1-29,31H,30H2
InChIKeyONEISIFEACFEPZ-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177265103
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176754857
3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177264885
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177265101
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767

Frequently Asked Questions

What is the IUPAC name of 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene?
The IUPAC name of 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene (CID 177264907) is 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene.
What is the SMILES notation for 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene?
The canonical SMILES for 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene is c1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4cccc(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene?
The InChIKey is ONEISIFEACFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-2-14-33(15-3-1)39-19-7-6-17-36(39)30-46-41-20-8-10-22-43(41)47(44-23-11-9-21-42(44)46)38-28-26-34-18-12-24-40(45(34)31-38)37-27-25-32-13-4-5-16-35(32)29-37/h1-29,31H,30H2.
What are the key properties of 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene?
9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene has a molecular weight of 596.77 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene is sourced from PubChem (CID 177264907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).