methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene

C40H34 — CID 143043876

IUPACmethane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
SMILESC.Cc1cc(C)c(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c(C)c1
InChIInChI=1S/C39H30.CH4/c1-25-21-26(2)37(27(3)22-25)30-13-10-14-31(24-30)38-33-15-6-8-17-35(33)39(36-18-9-7-16-34(36)38)32-20-19-28-11-4-5-12-29(28)23-32;/h4-24H,1-3H3;1H4
InChIKeyGCBOEFKWNPMVMK-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.71
Rot. Bonds3

About methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene

methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene (PubChem CID 143043876) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene.

Molecular Properties

Compound Namemethane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
PubChem CID143043876
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Namemethane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
SMILESC.Cc1cc(C)c(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c(C)c1
InChIInChI=1S/C39H30.CH4/c1-25-21-26(2)37(27(3)22-25)30-13-10-14-31(24-30)38-33-15-6-8-17-35(33)39(36-18-9-7-16-34(36)38)32-20-19-28-11-4-5-12-29(28)23-32;/h4-24H,1-3H3;1H4
InChIKeyGCBOEFKWNPMVMK-UHFFFAOYSA-N
XLogP11.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.71
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-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197

Frequently Asked Questions

What is the IUPAC name of methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene?
The IUPAC name of methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene (CID 143043876) is methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene.
What is the SMILES notation for methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene?
The canonical SMILES for methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene is C.Cc1cc(C)c(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c(C)c1.
What is the InChIKey of methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene?
The InChIKey is GCBOEFKWNPMVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30.CH4/c1-25-21-26(2)37(27(3)22-25)30-13-10-14-31(24-30)38-33-15-6-8-17-35(33)39(36-18-9-7-16-34(36)38)32-20-19-28-11-4-5-12-29(28)23-32;/h4-24H,1-3H3;1H4.
What are the key properties of methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene?
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene has a molecular weight of 514.71 g/mol, XLogP of 11.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene is sourced from PubChem (CID 143043876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).