7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene

C34H28 — CID 145064111

IUPAC7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene
SMILESCc1ccccc1-c1c(C)ccc2ccc(-c3ccc(C4=CCCC=C4)c4ccccc34)cc12
InChIInChI=1S/C34H28/c1-23-10-6-7-13-28(23)34-24(2)16-17-26-18-19-27(22-33(26)34)30-21-20-29(25-11-4-3-5-12-25)31-14-8-9-15-32(30)31/h4,6-22H,3,5H2,1-2H3
InChIKeyYIJIQTBYNDWVLA-UHFFFAOYSA-N
MW436.60 g/mol
LogP9.68
Rot. Bonds3

About 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene

7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene (PubChem CID 145064111) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene.

Molecular Properties

Compound Name7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene
PubChem CID145064111
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene
SMILESCc1ccccc1-c1c(C)ccc2ccc(-c3ccc(C4=CCCC=C4)c4ccccc34)cc12
InChIInChI=1S/C34H28/c1-23-10-6-7-13-28(23)34-24(2)16-17-26-18-19-27(22-33(26)34)30-21-20-29(25-11-4-3-5-12-25)31-14-8-9-15-32(30)31/h4,6-22H,3,5H2,1-2H3
InChIKeyYIJIQTBYNDWVLA-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
2-[2-[2-(5,6-dihydronaphthalen-2-yl)-6-methylphenyl]-3-methylphenyl]naphthalen-1-ol
CID 142046146
4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine
CID 162125811
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-cyclohexa-1,5-dien-1-yl-4-[8-(4-phenanthren-3-ylnaphthalen-1-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 134198841
1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
CID 174023509
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
CID 129170615
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene?
The IUPAC name of 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene (CID 145064111) is 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene.
What is the SMILES notation for 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene?
The canonical SMILES for 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene is Cc1ccccc1-c1c(C)ccc2ccc(-c3ccc(C4=CCCC=C4)c4ccccc34)cc12.
What is the InChIKey of 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene?
The InChIKey is YIJIQTBYNDWVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/c1-23-10-6-7-13-28(23)34-24(2)16-17-26-18-19-27(22-33(26)34)30-21-20-29(25-11-4-3-5-12-25)31-14-8-9-15-32(30)31/h4,6-22H,3,5H2,1-2H3.
What are the key properties of 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene?
7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene has a molecular weight of 436.60 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene is sourced from PubChem (CID 145064111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).