9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene

C37H26 — CID 123303809

IUPAC9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C37H26/c1-25-19-21-27(22-20-25)36-31-15-7-9-17-33(31)37(34-18-10-8-16-32(34)36)35-24-23-28(26-11-3-2-4-12-26)29-13-5-6-14-30(29)35/h2-24H,1H3
InChIKeyBCIZIMQTNNHZRM-UHFFFAOYSA-N
MW470.62 g/mol
LogP10.46
Rot. Bonds3

About 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene

9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 123303809) has the molecular formula C37H26 and a molecular weight of 470.62 g/mol. Its IUPAC name is 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID123303809
Molecular FormulaC37H26
Molecular Weight470.62 g/mol
Exact Mass470.20
IUPAC Name9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C37H26/c1-25-19-21-27(22-20-25)36-31-15-7-9-17-33(31)37(34-18-10-8-16-32(34)36)35-24-23-28(26-11-3-2-4-12-26)29-13-5-6-14-30(29)35/h2-24H,1H3
InChIKeyBCIZIMQTNNHZRM-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

9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
triphenyl-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]silane
CID 123924347
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
CID 58151376
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene (CID 123303809) is 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is BCIZIMQTNNHZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26/c1-25-19-21-27(22-20-25)36-31-15-7-9-17-33(31)37(34-18-10-8-16-32(34)36)35-24-23-28(26-11-3-2-4-12-26)29-13-5-6-14-30(29)35/h2-24H,1H3.
What are the key properties of 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene?
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene 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 9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 123303809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).