bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone

C25H16Cl2O — CID 174592685

IUPACbis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone
SMILESO=C(C1Cc2cccc3c(Cl)ccc1c23)C1Cc2cccc3c(Cl)ccc1c23
InChIInChI=1S/C25H16Cl2O/c26-21-9-7-15-19(11-13-3-1-5-17(21)23(13)15)25(28)20-12-14-4-2-6-18-22(27)10-8-16(20)24(14)18/h1-10,19-20H,11-12H2
InChIKeyBARXIDNXHYZHPG-UHFFFAOYSA-N
MW403.31 g/mol
LogP6.85
Rot. Bonds2

About bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone

bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone (PubChem CID 174592685) has the molecular formula C25H16Cl2O and a molecular weight of 403.31 g/mol. Its IUPAC name is bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone.

Molecular Properties

Compound Namebis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone
PubChem CID174592685
Molecular FormulaC25H16Cl2O
Molecular Weight403.31 g/mol
Exact Mass402.06
IUPAC Namebis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone
SMILESO=C(C1Cc2cccc3c(Cl)ccc1c23)C1Cc2cccc3c(Cl)ccc1c23
InChIInChI=1S/C25H16Cl2O/c26-21-9-7-15-19(11-13-3-1-5-17(21)23(13)15)25(28)20-12-14-4-2-6-18-22(27)10-8-16(20)24(14)18/h1-10,19-20H,11-12H2
InChIKeyBARXIDNXHYZHPG-UHFFFAOYSA-N
XLogP6.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone?
The IUPAC name of bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone (CID 174592685) is bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone.
What is the SMILES notation for bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone?
The canonical SMILES for bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone is O=C(C1Cc2cccc3c(Cl)ccc1c23)C1Cc2cccc3c(Cl)ccc1c23.
What is the InChIKey of bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone?
The InChIKey is BARXIDNXHYZHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2O/c26-21-9-7-15-19(11-13-3-1-5-17(21)23(13)15)25(28)20-12-14-4-2-6-18-22(27)10-8-16(20)24(14)18/h1-10,19-20H,11-12H2.
What are the key properties of bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone?
bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone has a molecular weight of 403.31 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloro-1,2-dihydroacenaphthylen-1-yl)methanone is sourced from PubChem (CID 174592685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).