9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene

C48H32 — CID 58965768

IUPAC9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H32/c1-3-15-34(16-4-1)40-24-13-25-41(35-17-5-2-6-18-35)46(40)36-27-29-37(30-28-36)47-42-20-9-11-22-44(42)48(45-23-12-10-21-43(45)47)39-31-26-33-14-7-8-19-38(33)32-39/h1-32H
InChIKeyXCMWGUDIFPRCEK-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.48
Rot. Bonds5

About 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene

9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 58965768) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
PubChem CID58965768
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H32/c1-3-15-34(16-4-1)40-24-13-25-41(35-17-5-2-6-18-35)46(40)36-27-29-37(30-28-36)47-42-20-9-11-22-44(42)48(45-23-12-10-21-43(45)47)39-31-26-33-14-7-8-19-38(33)32-39/h1-32H
InChIKeyXCMWGUDIFPRCEK-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-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
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
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161288409
9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;9-phenyl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 159178358
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene (CID 58965768) is 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is XCMWGUDIFPRCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-3-15-34(16-4-1)40-24-13-25-41(35-17-5-2-6-18-35)46(40)36-27-29-37(30-28-36)47-42-20-9-11-22-44(42)48(45-23-12-10-21-43(45)47)39-31-26-33-14-7-8-19-38(33)32-39/h1-32H.
What are the key properties of 9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene?
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene 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-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 58965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).