1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene

C56H32Cl8 — CID 101072284

IUPAC1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
SMILESClc1ccc(C(=C2C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C56H32Cl8/c57-41-17-1-33(2-18-41)49(34-3-19-42(58)20-4-34)53-54(50(35-5-21-43(59)22-6-35)36-7-23-44(60)24-8-36)56(52(39-13-29-47(63)30-14-39)40-15-31-48(64)32-16-40)55(53)51(37-9-25-45(61)26-10-37)38-11-27-46(62)28-12-38/h1-32H
InChIKeyJEZXHRHVYZVPLT-UHFFFAOYSA-N
MW988.50 g/mol
LogP19.24
Rot. Bonds8

About 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene

1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene (PubChem CID 101072284) has the molecular formula C56H32Cl8 and a molecular weight of 988.50 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
PubChem CID101072284
Molecular FormulaC56H32Cl8
Molecular Weight988.50 g/mol
Exact Mass984.00
IUPAC Name1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
SMILESClc1ccc(C(=C2C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C56H32Cl8/c57-41-17-1-33(2-18-41)49(34-3-19-42(58)20-4-34)53-54(50(35-5-21-43(59)22-6-35)36-7-23-44(60)24-8-36)56(52(39-13-29-47(63)30-14-39)40-15-31-48(64)32-16-40)55(53)51(37-9-25-45(61)26-10-37)38-11-27-46(62)28-12-38/h1-32H
InChIKeyJEZXHRHVYZVPLT-UHFFFAOYSA-N
XLogP19.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.50
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
CID 11445579
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
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
1-(4-chlorophenyl)ethenamine
CID 122642948
(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
CID 87277386
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene (CID 101072284) is 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene is Clc1ccc(C(=C2C(=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C(=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-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene?
The InChIKey is JEZXHRHVYZVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32Cl8/c57-41-17-1-33(2-18-41)49(34-3-19-42(58)20-4-34)53-54(50(35-5-21-43(59)22-6-35)36-7-23-44(60)24-8-36)56(52(39-13-29-47(63)30-14-39)40-15-31-48(64)32-16-40)55(53)51(37-9-25-45(61)26-10-37)38-11-27-46(62)28-12-38/h1-32H.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene?
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene has a molecular weight of 988.50 g/mol, XLogP of 19.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene is sourced from PubChem (CID 101072284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).