2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene

C42H30O — CID 58556071

IUPAC2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
SMILESCOc1ccc2cc(-c3ccc4cc(-c5ccc6cc(-c7ccc8cc(C)ccc8c7)ccc6c5)ccc4c3)ccc2c1
InChIInChI=1S/C42H30O/c1-27-3-4-29-20-30(6-5-28(29)19-27)31-7-8-33-22-34(10-9-32(33)21-31)35-11-12-37-24-38(14-13-36(37)23-35)39-15-16-41-26-42(43-2)18-17-40(41)25-39/h3-26H,1-2H3
InChIKeyXUFQXPXBMQQUHG-UHFFFAOYSA-N
MW550.70 g/mol
LogP11.62
Rot. Bonds4

About 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene

2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene (PubChem CID 58556071) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
PubChem CID58556071
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
SMILESCOc1ccc2cc(-c3ccc4cc(-c5ccc6cc(-c7ccc8cc(C)ccc8c7)ccc6c5)ccc4c3)ccc2c1
InChIInChI=1S/C42H30O/c1-27-3-4-29-20-30(6-5-28(29)19-27)31-7-8-33-22-34(10-9-32(33)21-31)35-11-12-37-24-38(14-13-36(37)23-35)39-15-16-41-26-42(43-2)18-17-40(41)25-39/h3-26H,1-2H3
InChIKeyXUFQXPXBMQQUHG-UHFFFAOYSA-N
XLogP11.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene with MolForge

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Related Compounds

2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2-methoxy-6-phenylnaphthalene
CID 11253308
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene?
The IUPAC name of 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene (CID 58556071) is 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene?
The canonical SMILES for 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene is COc1ccc2cc(-c3ccc4cc(-c5ccc6cc(-c7ccc8cc(C)ccc8c7)ccc6c5)ccc4c3)ccc2c1.
What is the InChIKey of 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene?
The InChIKey is XUFQXPXBMQQUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-27-3-4-29-20-30(6-5-28(29)19-27)31-7-8-33-22-34(10-9-32(33)21-31)35-11-12-37-24-38(14-13-36(37)23-35)39-15-16-41-26-42(43-2)18-17-40(41)25-39/h3-26H,1-2H3.
What are the key properties of 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene?
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene has a molecular weight of 550.70 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene is sourced from PubChem (CID 58556071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).