[benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone

C38H26Br2O2Sn — CID 177420679

IUPAC[benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone
SMILESO=C(c1ccccc1)[Sn](C(=O)c1ccccc1)(c1ccc2c3c(ccc(Br)c13)CC2)c1ccc2c3c(ccc(Br)c13)CC2
InChIInChI=1S/2C12H8Br.2C7H5O.Sn/c2*13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;2*8-6-7-4-2-1-3-5-7;/h2*1-2,6-7H,4-5H2;2*1-5H;
InChIKeyRMOLFHCNIGPEEW-UHFFFAOYSA-N
MW793.14 g/mol
LogP8.12
Rot. Bonds6

About [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone

[benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone (PubChem CID 177420679) has the molecular formula C38H26Br2O2Sn and a molecular weight of 793.14 g/mol. Its IUPAC name is [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone.

Molecular Properties

Compound Name[benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone
PubChem CID177420679
Molecular FormulaC38H26Br2O2Sn
Molecular Weight793.14 g/mol
Exact Mass791.93
IUPAC Name[benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone
SMILESO=C(c1ccccc1)[Sn](C(=O)c1ccccc1)(c1ccc2c3c(ccc(Br)c13)CC2)c1ccc2c3c(ccc(Br)c13)CC2
InChIInChI=1S/2C12H8Br.2C7H5O.Sn/c2*13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;2*8-6-7-4-2-1-3-5-7;/h2*1-2,6-7H,4-5H2;2*1-5H;
InChIKeyRMOLFHCNIGPEEW-UHFFFAOYSA-N
XLogP8.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.14
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone?
The IUPAC name of [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone (CID 177420679) is [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone.
What is the SMILES notation for [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone?
The canonical SMILES for [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone is O=C(c1ccccc1)[Sn](C(=O)c1ccccc1)(c1ccc2c3c(ccc(Br)c13)CC2)c1ccc2c3c(ccc(Br)c13)CC2.
What is the InChIKey of [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone?
The InChIKey is RMOLFHCNIGPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8Br.2C7H5O.Sn/c2*13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;2*8-6-7-4-2-1-3-5-7;/h2*1-2,6-7H,4-5H2;2*1-5H;.
What are the key properties of [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone?
[benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone has a molecular weight of 793.14 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl-bis(6-bromo-1,2-dihydroacenaphthylen-5-yl)stannyl]-phenylmethanone is sourced from PubChem (CID 177420679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).