1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene

C27H20Cl4 — CID 86006931

IUPAC1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene
SMILESClC(Cl)(c1ccccc1)c1ccc(Cc2ccc(C(Cl)(Cl)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H20Cl4/c28-26(29,22-7-3-1-4-8-22)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27(30,31)23-9-5-2-6-10-23/h1-18H,19H2
InChIKeyQTVCRASOMNKXIG-UHFFFAOYSA-N
MW486.27 g/mol
LogP8.63
Rot. Bonds6

About 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene

1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene (PubChem CID 86006931) has the molecular formula C27H20Cl4 and a molecular weight of 486.27 g/mol. Its IUPAC name is 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene
PubChem CID86006931
Molecular FormulaC27H20Cl4
Molecular Weight486.27 g/mol
Exact Mass484.03
IUPAC Name1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene
SMILESClC(Cl)(c1ccccc1)c1ccc(Cc2ccc(C(Cl)(Cl)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H20Cl4/c28-26(29,22-7-3-1-4-8-22)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27(30,31)23-9-5-2-6-10-23/h1-18H,19H2
InChIKeyQTVCRASOMNKXIG-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.27
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene?
The IUPAC name of 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene (CID 86006931) is 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene?
The canonical SMILES for 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene is ClC(Cl)(c1ccccc1)c1ccc(Cc2ccc(C(Cl)(Cl)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene?
The InChIKey is QTVCRASOMNKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl4/c28-26(29,22-7-3-1-4-8-22)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27(30,31)23-9-5-2-6-10-23/h1-18H,19H2.
What are the key properties of 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene?
1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene has a molecular weight of 486.27 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene is sourced from PubChem (CID 86006931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).