2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene

C37H26 — CID 59766405

IUPAC2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
SMILESCc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C37H26/c1-25-18-20-26(21-19-25)29-22-23-34-35(24-29)36(28-11-3-2-4-12-28)32-15-7-8-16-33(32)37(34)31-17-9-13-27-10-5-6-14-30(27)31/h2-24H,1H3
InChIKeyHYZYUGYANTYBLQ-UHFFFAOYSA-N
MW470.62 g/mol
LogP10.46
Rot. Bonds3

About 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene

2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene (PubChem CID 59766405) has the molecular formula C37H26 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene.

Molecular Properties

Compound Name2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
PubChem CID59766405
Molecular FormulaC37H26
Molecular Weight470.62 g/mol
Exact Mass470.20
IUPAC Name2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
SMILESCc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C37H26/c1-25-18-20-26(21-19-25)29-22-23-34-35(24-29)36(28-11-3-2-4-12-28)32-15-7-8-16-33(32)37(34)31-17-9-13-27-10-5-6-14-30(27)31/h2-24H,1H3
InChIKeyHYZYUGYANTYBLQ-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 510.46
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

2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene?
The IUPAC name of 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene (CID 59766405) is 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene.
What is the SMILES notation for 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene?
The canonical SMILES for 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene is Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene?
The InChIKey is HYZYUGYANTYBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26/c1-25-18-20-26(21-19-25)29-22-23-34-35(24-29)36(28-11-3-2-4-12-28)32-15-7-8-16-33(32)37(34)31-17-9-13-27-10-5-6-14-30(27)31/h2-24H,1H3.
What are the key properties of 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene?
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene has a molecular weight of 470.62 g/mol, XLogP of 10.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene is sourced from PubChem (CID 59766405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).