2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene

C39H40 — CID 101338672

IUPAC2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=CC=C1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H40/c1-37(2,3)30-21-23-32-33-24-22-31(38(4,5)6)26-35(33)36(34(32)25-30)39(29-19-13-14-20-29,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-26,29,36H,1-6H3
InChIKeyAHYVIHOXJFUPPG-UHFFFAOYSA-N
MW508.75 g/mol
LogP10.12
Rot. Bonds4

About 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene

2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene (PubChem CID 101338672) has the molecular formula C39H40 and a molecular weight of 508.75 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
PubChem CID101338672
Molecular FormulaC39H40
Molecular Weight508.75 g/mol
Exact Mass508.31
IUPAC Name2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=CC=C1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H40/c1-37(2,3)30-21-23-32-33-24-22-31(38(4,5)6)26-35(33)36(34(32)25-30)39(29-19-13-14-20-29,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-26,29,36H,1-6H3
InChIKeyAHYVIHOXJFUPPG-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 142375154
9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
CID 101371835
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
2,7-ditert-butyl-9-[dicyclohexyl(cyclopenta-2,4-dien-1-yl)methyl]-9H-fluorene
CID 175228501
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
CID 170895253
(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-ditert-butyl-1-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 150160280
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937049
2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 140807096

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene (CID 101338672) is 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene is CC(C)(C)c1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=CC=C1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene?
The InChIKey is AHYVIHOXJFUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40/c1-37(2,3)30-21-23-32-33-24-22-31(38(4,5)6)26-35(33)36(34(32)25-30)39(29-19-13-14-20-29,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-26,29,36H,1-6H3.
What are the key properties of 2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene?
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene has a molecular weight of 508.75 g/mol, XLogP of 10.12, 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-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene is sourced from PubChem (CID 101338672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).