4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene

C41H40Cl2 — CID 141234287

IUPAC4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene
SMILESCc1cc2c(cc1C(C)(C)C)=c1c(c(C3C=CC=C3)c(C)c(C(C)(C)C)c1=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C=2
InChIInChI=1S/C41H40Cl2/c1-24-21-29-22-33-35(26-11-9-10-12-26)25(2)39(41(6,7)8)38(37(33)32(29)23-34(24)40(3,4)5)36(27-13-17-30(42)18-14-27)28-15-19-31(43)20-16-28/h9-23,26H,1-8H3
InChIKeyPDEORHULHMNLBS-UHFFFAOYSA-N
MW603.68 g/mol
LogP10.09
Rot. Bonds3

About 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene

4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene (PubChem CID 141234287) has the molecular formula C41H40Cl2 and a molecular weight of 603.68 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene
PubChem CID141234287
Molecular FormulaC41H40Cl2
Molecular Weight603.68 g/mol
Exact Mass602.25
IUPAC Name4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene
SMILESCc1cc2c(cc1C(C)(C)C)=c1c(c(C3C=CC=C3)c(C)c(C(C)(C)C)c1=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C=2
InChIInChI=1S/C41H40Cl2/c1-24-21-29-22-33-35(26-11-9-10-12-26)25(2)39(41(6,7)8)38(37(33)32(29)23-34(24)40(3,4)5)36(27-13-17-30(42)18-14-27)28-15-19-31(43)20-16-28/h9-23,26H,1-8H3
InChIKeyPDEORHULHMNLBS-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene with MolForge

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Related Compounds

4-[bis(4-chlorophenyl)methylidene]-2,3,6,7-tetratert-butyl-1-cyclopenta-1,3-dien-1-ylfluorene
CID 87921993
4-[bis[3-(trifluoromethyl)phenyl]methylidene]-3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,7-dimethylfluorene
CID 140528779
3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-4-(dinaphthalen-1-ylmethylidene)-2,7-dimethylfluorene
CID 87922002
2-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-ylfluorene
CID 87921945
4-[bis(4-butylphenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87922113
2-[bis(4-tert-butylphenyl)methylidene]-3,6-ditert-butyl-1-(3-tert-butyl-2,5-dimethylcyclopenta-1,3-dien-1-yl)fluorene
CID 87070414
2-(4-tert-butyl-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
CID 153315431
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
CID 11445579
(1E,3E)-1-(4-chlorophenyl)-4-(2,6-ditert-butylpyrylium-4-yl)buta-1,3-dien-1-ol
CID 137292672
2,4-ditert-butyl-5-methylphenol
CID 10346
[2,5-ditert-butyl-4-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 2800246

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene?
The IUPAC name of 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene (CID 141234287) is 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene?
The canonical SMILES for 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene is Cc1cc2c(cc1C(C)(C)C)=c1c(c(C3C=CC=C3)c(C)c(C(C)(C)C)c1=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C=2.
What is the InChIKey of 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene?
The InChIKey is PDEORHULHMNLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40Cl2/c1-24-21-29-22-33-35(26-11-9-10-12-26)25(2)39(41(6,7)8)38(37(33)32(29)23-34(24)40(3,4)5)36(27-13-17-30(42)18-14-27)28-15-19-31(43)20-16-28/h9-23,26H,1-8H3.
What are the key properties of 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene?
4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene has a molecular weight of 603.68 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-2,7-dimethylfluorene is sourced from PubChem (CID 141234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).