9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene

C48H32 — CID 144568868

IUPAC9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H32/c1-2-11-33(12-3-1)35-21-23-36(24-22-35)37-25-28-38(29-26-37)47-43-17-6-8-19-45(43)48(46-20-9-7-18-44(46)47)42-16-10-15-40(32-42)41-30-27-34-13-4-5-14-39(34)31-41/h1-32H
InChIKeyNGPIHEHVTWXKBX-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.48
Rot. Bonds5

About 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene

9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene (PubChem CID 144568868) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
PubChem CID144568868
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H32/c1-2-11-33(12-3-1)35-21-23-36(24-22-35)37-25-28-38(29-26-37)47-43-17-6-8-19-45(43)48(46-20-9-7-18-44(46)47)42-16-10-15-40(32-42)41-30-27-34-13-4-5-14-39(34)31-41/h1-32H
InChIKeyNGPIHEHVTWXKBX-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.48
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-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene (CID 144568868) is 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene?
The InChIKey is NGPIHEHVTWXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-2-11-33(12-3-1)35-21-23-36(24-22-35)37-25-28-38(29-26-37)47-43-17-6-8-19-45(43)48(46-20-9-7-18-44(46)47)42-16-10-15-40(32-42)41-30-27-34-13-4-5-14-39(34)31-41/h1-32H.
What are the key properties of 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene?
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene has a molecular weight of 608.78 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 144568868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).