3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene

C51H46 — CID 150122519

IUPAC3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene
SMILESCC(C)(C)c1cc2c(c(C3C=CC=C3)c1-c1ccccc1)Cc1cc(-c3ccccc3)c(C(C)(C)C=C(c3ccccc3)c3ccccc3)cc1-2
InChIInChI=1S/C51H46/c1-50(2,3)47-33-43-41-32-46(51(4,5)34-45(36-22-12-7-13-23-36)37-24-14-8-15-25-37)42(35-20-10-6-11-21-35)30-40(41)31-44(43)48(38-28-18-19-29-38)49(47)39-26-16-9-17-27-39/h6-30,32-34,38H,31H2,1-5H3
InChIKeyDZNTZOWQQQZCGN-UHFFFAOYSA-N
MW658.93 g/mol
LogP13.51
Rot. Bonds7

About 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene

3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene (PubChem CID 150122519) has the molecular formula C51H46 and a molecular weight of 658.93 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene
PubChem CID150122519
Molecular FormulaC51H46
Molecular Weight658.93 g/mol
Exact Mass658.36
IUPAC Name3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene
SMILESCC(C)(C)c1cc2c(c(C3C=CC=C3)c1-c1ccccc1)Cc1cc(-c3ccccc3)c(C(C)(C)C=C(c3ccccc3)c3ccccc3)cc1-2
InChIInChI=1S/C51H46/c1-50(2,3)47-33-43-41-32-46(51(4,5)34-45(36-22-12-7-13-23-36)37-24-14-8-15-25-37)42(35-20-10-6-11-21-35)30-40(41)31-44(43)48(38-28-18-19-29-38)49(47)39-26-16-9-17-27-39/h6-30,32-34,38H,31H2,1-5H3
InChIKeyDZNTZOWQQQZCGN-UHFFFAOYSA-N
XLogP13.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.93
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1-cyclopenta-2,4-dien-1-yl-7-(2,4-dimethylpent-3-en-2-yl)-9H-fluorene
CID 172756079
3,5-ditert-butyl-2,7-diphenyl-9H-fluorene
CID 157418767
2-tert-butyl-1-[2-(2,3-dimethylphenyl)cyclopenta-2,4-dien-1-yl]-7-(2-methyl-4,4-diphenylbut-3-en-2-yl)-9H-fluorene
CID 157239867
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 174488507
2,5-ditert-butyl-4-phenylphenol
CID 14592702
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;dicyclohexylsilylidenehafnium(2+);dichloride
CID 158552937
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;dinaphthalen-2-ylmethylidenezirconium(2+);dichloride
CID 160545660
2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
CID 140974176
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloro(diphenyl)silane;zirconium(2+)
CID 157456635
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;diphenylsilylidenehafnium(2+);dichloride
CID 158610965
3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene
CID 87195698

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene?
The IUPAC name of 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene (CID 150122519) is 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene.
What is the SMILES notation for 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene?
The canonical SMILES for 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene is CC(C)(C)c1cc2c(c(C3C=CC=C3)c1-c1ccccc1)Cc1cc(-c3ccccc3)c(C(C)(C)C=C(c3ccccc3)c3ccccc3)cc1-2.
What is the InChIKey of 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene?
The InChIKey is DZNTZOWQQQZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46/c1-50(2,3)47-33-43-41-32-46(51(4,5)34-45(36-22-12-7-13-23-36)37-24-14-8-15-25-37)42(35-20-10-6-11-21-35)30-40(41)31-44(43)48(38-28-18-19-29-38)49(47)39-26-16-9-17-27-39/h6-30,32-34,38H,31H2,1-5H3.
What are the key properties of 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene?
3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene has a molecular weight of 658.93 g/mol, XLogP of 13.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopenta-2,4-dien-1-yl-6-(2-methyl-4,4-diphenylbut-3-en-2-yl)-2,7-diphenyl-9H-fluorene is sourced from PubChem (CID 150122519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).