2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene

C39H46 — CID 142375154

IUPAC2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C(c1ccccc1)(C1C=CC=C1)C1CCCCC1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H46/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/h7,9-10,13-16,19-26,28-29,36H,8,11-12,17-18H2,1-6H3
InChIKeyQIZGAIWXCPJQMD-UHFFFAOYSA-N
MW514.80 g/mol
LogP10.65
Rot. Bonds4

About 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene

2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene (PubChem CID 142375154) has the molecular formula C39H46 and a molecular weight of 514.80 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
PubChem CID142375154
Molecular FormulaC39H46
Molecular Weight514.80 g/mol
Exact Mass514.36
IUPAC Name2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C(c1ccccc1)(C1C=CC=C1)C1CCCCC1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H46/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/h7,9-10,13-16,19-26,28-29,36H,8,11-12,17-18H2,1-6H3
InChIKeyQIZGAIWXCPJQMD-UHFFFAOYSA-N
XLogP10.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene with MolForge

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Related Compounds

2,7-ditert-butyl-9-[dicyclohexyl(cyclopenta-2,4-dien-1-yl)methyl]-9H-fluorene
CID 175228501
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
2,7-ditert-butyl-1-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 150160280
9-(1-cyclohexyl-1-cyclopenta-2,4-dien-1-ylpentyl)-2,7-diphenyl-9H-fluorene
CID 175228506
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
(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
CID 82933987
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
2,10-ditert-butyltetraphenylene
CID 159208403
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene (CID 142375154) is 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene is CC(C)(C)c1ccc2c(c1)C(C(c1ccccc1)(C1C=CC=C1)C1CCCCC1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene?
The InChIKey is QIZGAIWXCPJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46/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/h7,9-10,13-16,19-26,28-29,36H,8,11-12,17-18H2,1-6H3.
What are the key properties of 2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene?
2,7-ditert-butyl-9-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene has a molecular weight of 514.80 g/mol, XLogP of 10.65, 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-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene is sourced from PubChem (CID 142375154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).