9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene

C37H26 — CID 140762183

IUPAC9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
SMILESCc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C37H26/c1-25-24-34(28-18-8-9-19-29(28)35(25)26-14-4-2-5-15-26)37-32-22-12-10-20-30(32)36(27-16-6-3-7-17-27)31-21-11-13-23-33(31)37/h2-24H,1H3
InChIKeyBGKNBNGPCCGWRJ-UHFFFAOYSA-N
MW470.62 g/mol
LogP10.46
Rot. Bonds3

About 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene

9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene (PubChem CID 140762183) has the molecular formula C37H26 and a molecular weight of 470.62 g/mol. Its IUPAC name is 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
PubChem CID140762183
Molecular FormulaC37H26
Molecular Weight470.62 g/mol
Exact Mass470.20
IUPAC Name9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
SMILESCc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C37H26/c1-25-24-34(28-18-8-9-19-29(28)35(25)26-14-4-2-5-15-26)37-32-22-12-10-20-30(32)36(27-16-6-3-7-17-27)31-21-11-13-23-33(31)37/h2-24H,1H3
InChIKeyBGKNBNGPCCGWRJ-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-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
6-(10-phenylanthracen-9-yl)chrysene
CID 123188642
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene
CID 140722799
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
2,9-dimethyl-10-phenylanthracene
CID 58435289
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene?
The IUPAC name of 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene (CID 140762183) is 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene?
The canonical SMILES for 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene is Cc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene?
The InChIKey is BGKNBNGPCCGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26/c1-25-24-34(28-18-8-9-19-29(28)35(25)26-14-4-2-5-15-26)37-32-22-12-10-20-30(32)36(27-16-6-3-7-17-27)31-21-11-13-23-33(31)37/h2-24H,1H3.
What are the key properties of 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene?
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-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 9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene is sourced from PubChem (CID 140762183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).