9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene

C51H38 — CID 58590120

IUPAC9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
SMILESCc1cc(C)c(-c2c3ccccc3c(-c3ccc4cc(-c5ccccc5-c5ccccc5-c5ccccc5)ccc4c3)c3ccccc23)c(C)c1
InChIInChI=1S/C51H38/c1-33-29-34(2)49(35(3)30-33)51-47-23-13-11-21-45(47)50(46-22-12-14-24-48(46)51)40-28-26-37-31-39(27-25-38(37)32-40)42-18-8-10-20-44(42)43-19-9-7-17-41(43)36-15-5-4-6-16-36/h4-32H,1-3H3
InChIKeyDIVXOJPXHOQXIL-UHFFFAOYSA-N
MW650.87 g/mol
LogP14.41
Rot. Bonds5

About 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene

9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene (PubChem CID 58590120) has the molecular formula C51H38 and a molecular weight of 650.87 g/mol. Its IUPAC name is 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene.

Molecular Properties

Compound Name9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
PubChem CID58590120
Molecular FormulaC51H38
Molecular Weight650.87 g/mol
Exact Mass650.30
IUPAC Name9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
SMILESCc1cc(C)c(-c2c3ccccc3c(-c3ccc4cc(-c5ccccc5-c5ccccc5-c5ccccc5)ccc4c3)c3ccccc23)c(C)c1
InChIInChI=1S/C51H38/c1-33-29-34(2)49(35(3)30-33)51-47-23-13-11-21-45(47)50(46-22-12-14-24-48(46)51)40-28-26-37-31-39(27-25-38(37)32-40)42-18-8-10-20-44(42)43-19-9-7-17-41(43)36-15-5-4-6-16-36/h4-32H,1-3H3
InChIKeyDIVXOJPXHOQXIL-UHFFFAOYSA-N
XLogP14.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.87
LogP ≤ 514.41
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-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-(2,6-dimethyl-4-phenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;bis(9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene);9-naphthalen-2-yl-10-[4-(2,4,6-trimethylphenyl)phenyl]anthracene;9-phenanthren-1-yl-10-(4-phenylphenyl)anthracene;3-[10-(4-phenylphenyl)anthracen-9-yl]fluoranthene
CID 159060632
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
CID 143043876
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
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-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-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902

Frequently Asked Questions

What is the IUPAC name of 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene?
The IUPAC name of 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene (CID 58590120) is 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene.
What is the SMILES notation for 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene?
The canonical SMILES for 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene is Cc1cc(C)c(-c2c3ccccc3c(-c3ccc4cc(-c5ccccc5-c5ccccc5-c5ccccc5)ccc4c3)c3ccccc23)c(C)c1.
What is the InChIKey of 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene?
The InChIKey is DIVXOJPXHOQXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38/c1-33-29-34(2)49(35(3)30-33)51-47-23-13-11-21-45(47)50(46-22-12-14-24-48(46)51)40-28-26-37-31-39(27-25-38(37)32-40)42-18-8-10-20-44(42)43-19-9-7-17-41(43)36-15-5-4-6-16-36/h4-32H,1-3H3.
What are the key properties of 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene?
9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene has a molecular weight of 650.87 g/mol, XLogP of 14.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene is sourced from PubChem (CID 58590120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).