4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)

C58H64 — CID 158441107

IUPAC4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
SMILESCc1cc2c3c(cccc3c1)CC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/2C13H12.2C11H14.C10H12/c1-9-7-11-4-2-3-10-5-6-12(8-9)13(10)11;1-9-5-6-11-8-7-10-3-2-4-12(9)13(10)11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-6-9-3-2-4-10(9)7-8/h2-4,7-8H,5-6H2,1H3;2-6H,7-8H2,1H3;2*6-8H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyHCUZWZKGCKTELL-UHFFFAOYSA-N
MW761.15 g/mol
LogP14.73
Rot. Bonds

About 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)

4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) (PubChem CID 158441107) has the molecular formula C58H64 and a molecular weight of 761.15 g/mol. Its IUPAC name is 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene).

Molecular Properties

Compound Name4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
PubChem CID158441107
Molecular FormulaC58H64
Molecular Weight761.15 g/mol
Exact Mass760.50
IUPAC Name4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
SMILESCc1cc2c3c(cccc3c1)CC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/2C13H12.2C11H14.C10H12/c1-9-7-11-4-2-3-10-5-6-12(8-9)13(10)11;1-9-5-6-11-8-7-10-3-2-4-12(9)13(10)11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-6-9-3-2-4-10(9)7-8/h2-4,7-8H,5-6H2,1H3;2-6H,7-8H2,1H3;2*6-8H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyHCUZWZKGCKTELL-UHFFFAOYSA-N
XLogP14.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.15
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) with MolForge

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Related Compounds

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2,3-dihydro-1H-benzo[a]phenalene
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
The IUPAC name of 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) (CID 158441107) is 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene).
What is the SMILES notation for 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
The canonical SMILES for 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) is Cc1cc2c3c(cccc3c1)CC2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
The InChIKey is HCUZWZKGCKTELL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12.2C11H14.C10H12/c1-9-7-11-4-2-3-10-5-6-12(8-9)13(10)11;1-9-5-6-11-8-7-10-3-2-4-12(9)13(10)11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-6-9-3-2-4-10(9)7-8/h2-4,7-8H,5-6H2,1H3;2-6H,7-8H2,1H3;2*6-8H,2-5H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)?
4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) has a molecular weight of 761.15 g/mol, XLogP of 14.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene) is sourced from PubChem (CID 158441107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).