1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene

C42H24Cl6 — CID 11445579

IUPAC1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
SMILESClc1ccc(C(=C2C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C42H24Cl6/c43-31-13-1-25(2-14-31)37(26-3-15-32(44)16-4-26)40-41(38(27-5-17-33(45)18-6-27)28-7-19-34(46)20-8-28)42(40)39(29-9-21-35(47)22-10-29)30-11-23-36(48)24-12-30/h1-24H
InChIKeyFPABRRNPBLRGEE-UHFFFAOYSA-N
MW741.37 g/mol
LogP14.43
Rot. Bonds6

About 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene

1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene (PubChem CID 11445579) has the molecular formula C42H24Cl6 and a molecular weight of 741.37 g/mol. Its IUPAC name is 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
PubChem CID11445579
Molecular FormulaC42H24Cl6
Molecular Weight741.37 g/mol
Exact Mass738.00
IUPAC Name1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
SMILESClc1ccc(C(=C2C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C42H24Cl6/c43-31-13-1-25(2-14-31)37(26-3-15-32(44)16-4-26)40-41(38(27-5-17-33(45)18-6-27)28-7-19-34(46)20-8-28)42(40)39(29-9-21-35(47)22-10-29)30-11-23-36(48)24-12-30/h1-24H
InChIKeyFPABRRNPBLRGEE-UHFFFAOYSA-N
XLogP14.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.37
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252
4-chloro(13C)benzoic acid
CID 66995527
azane;1,4-dichlorobenzene
CID 69330361
CID 10801751
CID 10801751
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
1-(4-chlorophenyl)ethenamine
CID 122642948
(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
CID 87277386
cesium;4-chlorobenzoic acid;fluoride
CID 175696882

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene?
The IUPAC name of 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene (CID 11445579) is 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene?
The canonical SMILES for 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene is Clc1ccc(C(=C2C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene?
The InChIKey is FPABRRNPBLRGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Cl6/c43-31-13-1-25(2-14-31)37(26-3-15-32(44)16-4-26)40-41(38(27-5-17-33(45)18-6-27)28-7-19-34(46)20-8-28)42(40)39(29-9-21-35(47)22-10-29)30-11-23-36(48)24-12-30/h1-24H.
What are the key properties of 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene?
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene has a molecular weight of 741.37 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 11445579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).