1,2-dihydroacenaphthylene

C72H60 — CID 161018660

IUPAC1,2-dihydroacenaphthylene
SMILESc1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/6C12H10/c6*1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h6*1-6H,7-8H2
InChIKeyTYBJCMVKUSKYAX-UHFFFAOYSA-N
MW925.27 g/mol
LogP17.63
Rot. Bonds

About 1,2-dihydroacenaphthylene

1,2-dihydroacenaphthylene (PubChem CID 161018660) has the molecular formula C72H60 and a molecular weight of 925.27 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene
PubChem CID161018660
Molecular FormulaC72H60
Molecular Weight925.27 g/mol
Exact Mass924.47
IUPAC Name1,2-dihydroacenaphthylene
SMILESc1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/6C12H10/c6*1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h6*1-6H,7-8H2
InChIKeyTYBJCMVKUSKYAX-UHFFFAOYSA-N
XLogP17.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.27
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene?
The IUPAC name of 1,2-dihydroacenaphthylene (CID 161018660) is 1,2-dihydroacenaphthylene.
What is the SMILES notation for 1,2-dihydroacenaphthylene?
The canonical SMILES for 1,2-dihydroacenaphthylene is c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.c1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 1,2-dihydroacenaphthylene?
The InChIKey is TYBJCMVKUSKYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H10/c6*1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h6*1-6H,7-8H2.
What are the key properties of 1,2-dihydroacenaphthylene?
1,2-dihydroacenaphthylene has a molecular weight of 925.27 g/mol, XLogP of 17.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene is sourced from PubChem (CID 161018660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).