9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene

C41H34O — CID 88542893

IUPAC9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene
SMILESCOc1cc(C)c(-c2c3ccccc3c(-c3c(C)cc(-c4cccc5ccccc45)cc3C)c3ccccc23)c(C)c1
InChIInChI=1S/C41H34O/c1-25-21-30(33-20-12-14-29-13-6-7-15-32(29)33)22-26(2)38(25)40-34-16-8-10-18-36(34)41(37-19-11-9-17-35(37)40)39-27(3)23-31(42-5)24-28(39)4/h6-24H,1-5H3
InChIKeySFWCMWODYCEWCH-UHFFFAOYSA-N
MW542.72 g/mol
LogP11.39
Rot. Bonds4

About 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene

9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene (PubChem CID 88542893) has the molecular formula C41H34O and a molecular weight of 542.72 g/mol. Its IUPAC name is 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene.

Molecular Properties

Compound Name9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene
PubChem CID88542893
Molecular FormulaC41H34O
Molecular Weight542.72 g/mol
Exact Mass542.26
IUPAC Name9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene
SMILESCOc1cc(C)c(-c2c3ccccc3c(-c3c(C)cc(-c4cccc5ccccc45)cc3C)c3ccccc23)c(C)c1
InChIInChI=1S/C41H34O/c1-25-21-30(33-20-12-14-29-13-6-7-15-32(29)33)22-26(2)38(25)40-34-16-8-10-18-36(34)41(37-19-11-9-17-35(37)40)39-27(3)23-31(42-5)24-28(39)4/h6-24H,1-5H3
InChIKeySFWCMWODYCEWCH-UHFFFAOYSA-N
XLogP11.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
6-[10-(3-methoxynaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163532535
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
2-methyl-4-naphthalen-1-ylaniline
CID 54912725
8-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123644707
9-[4-methyl-3-(3-methylnaphthalen-2-yl)phenyl]-10-(3-naphthalen-1-ylphenyl)anthracene
CID 144703383
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene?
The IUPAC name of 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene (CID 88542893) is 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene.
What is the SMILES notation for 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene?
The canonical SMILES for 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene is COc1cc(C)c(-c2c3ccccc3c(-c3c(C)cc(-c4cccc5ccccc45)cc3C)c3ccccc23)c(C)c1.
What is the InChIKey of 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene?
The InChIKey is SFWCMWODYCEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34O/c1-25-21-30(33-20-12-14-29-13-6-7-15-32(29)33)22-26(2)38(25)40-34-16-8-10-18-36(34)41(37-19-11-9-17-35(37)40)39-27(3)23-31(42-5)24-28(39)4/h6-24H,1-5H3.
What are the key properties of 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene?
9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene has a molecular weight of 542.72 g/mol, XLogP of 11.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene is sourced from PubChem (CID 88542893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).