2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene

C48H58 — CID 154433757

IUPAC2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene
SMILESCC1=CC(C(C)(C)C)=CC1c1c(-c2ccccc2)c2c(c(Cc3ccc(C(C)(C)C)cc3)c1C(C)(C)C)Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C48H58/c1-30-25-36(47(8,9)10)29-38(30)43-41(32-17-15-14-16-18-32)42-37-24-23-35(46(5,6)7)27-33(37)28-39(42)40(44(43)48(11,12)13)26-31-19-21-34(22-20-31)45(2,3)4/h14-25,27,29,38H,26,28H2,1-13H3
InChIKeyDPIXFDOTHZSHPP-UHFFFAOYSA-N
MW634.99 g/mol
LogP13.42
Rot. Bonds4

About 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene

2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene (PubChem CID 154433757) has the molecular formula C48H58 and a molecular weight of 634.99 g/mol. Its IUPAC name is 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene
PubChem CID154433757
Molecular FormulaC48H58
Molecular Weight634.99 g/mol
Exact Mass634.45
IUPAC Name2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene
SMILESCC1=CC(C(C)(C)C)=CC1c1c(-c2ccccc2)c2c(c(Cc3ccc(C(C)(C)C)cc3)c1C(C)(C)C)Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C48H58/c1-30-25-36(47(8,9)10)29-38(30)43-41(32-17-15-14-16-18-32)42-37-24-23-35(46(5,6)7)27-33(37)28-39(42)40(44(43)48(11,12)13)26-31-19-21-34(22-20-31)45(2,3)4/h14-25,27,29,38H,26,28H2,1-13H3
InChIKeyDPIXFDOTHZSHPP-UHFFFAOYSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.99
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene with MolForge

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Launch Full Analysis

Related Compounds

2,7-ditert-butyl-3-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene;zirconium(2+);dichloride
CID 173134923
3-tert-butyl-1-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-6-(2-methyl-5-phenylpent-3-en-2-yl)-9H-fluorene
CID 172856596
2,7-ditert-butyl-1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-9-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene
CID 91008962
1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene
CID 87787624
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
CID 151591558
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
CID 87824712
2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene
CID 91015575
2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
CID 140974176
(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane
CID 174928576
[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane
CID 155666034

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene (CID 154433757) is 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene is CC1=CC(C(C)(C)C)=CC1c1c(-c2ccccc2)c2c(c(Cc3ccc(C(C)(C)C)cc3)c1C(C)(C)C)Cc1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene?
The InChIKey is DPIXFDOTHZSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58/c1-30-25-36(47(8,9)10)29-38(30)43-41(32-17-15-14-16-18-32)42-37-24-23-35(46(5,6)7)27-33(37)28-39(42)40(44(43)48(11,12)13)26-31-19-21-34(22-20-31)45(2,3)4/h14-25,27,29,38H,26,28H2,1-13H3.
What are the key properties of 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene?
2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene has a molecular weight of 634.99 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene is sourced from PubChem (CID 154433757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).