2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C43H56 — CID 140694745

IUPAC2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1
InChIInChI=1S/C43H56/c1-8-9-16-30-21-22-35(27-30)43(31-17-12-10-13-18-31,32-19-14-11-15-20-32)40-38-28-33(41(2,3)4)23-25-36(38)37-26-24-34(29-39(37)40)42(5,6)7/h10-15,17-20,23-26,28-30,35-40H,8-9,16,21-22,27H2,1-7H3
InChIKeyVESJZDVRLQWLBE-UHFFFAOYSA-N
MW572.92 g/mol
LogP11.76
Rot. Bonds7

About 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 140694745) has the molecular formula C43H56 and a molecular weight of 572.92 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID140694745
Molecular FormulaC43H56
Molecular Weight572.92 g/mol
Exact Mass572.44
IUPAC Name2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1
InChIInChI=1S/C43H56/c1-8-9-16-30-21-22-35(27-30)43(31-17-12-10-13-18-31,32-19-14-11-15-20-32)40-38-28-33(41(2,3)4)23-25-36(38)37-26-24-34(29-39(37)40)42(5,6)7/h10-15,17-20,23-26,28-30,35-40H,8-9,16,21-22,27H2,1-7H3
InChIKeyVESJZDVRLQWLBE-UHFFFAOYSA-N
XLogP11.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.92
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Related Compounds

2,7-ditert-butyl-9-[(3-pentylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140576056
2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162270340
carbanide;2,7-ditert-butyl-9-[(3-pent-4-enylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+);methane
CID 162270926
9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;chlorotitanium(3+)
CID 162277215
but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane
CID 59637840
2-tert-butyl-7-methyl-9-[2-(3-pent-4-enylcyclopentyl)-2,2-diphenylethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162277050
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))
CID 162276988
9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+))
CID 162277082
[3-[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)methyl]cyclopentyl]-but-3-enyl-dimethylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;carbanide;tris(dichlorozirconium(2+));9-[[3-(2-methylhex-5-en-2-yl)cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162276838
9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))
CID 162277138
1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))
CID 162275987
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 140694745) is 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is CCCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.
What is the InChIKey of 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is VESJZDVRLQWLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56/c1-8-9-16-30-21-22-35(27-30)43(31-17-12-10-13-18-31,32-19-14-11-15-20-32)40-38-28-33(41(2,3)4)23-25-36(38)37-26-24-34(29-39(37)40)42(5,6)7/h10-15,17-20,23-26,28-30,35-40H,8-9,16,21-22,27H2,1-7H3.
What are the key properties of 2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 572.92 g/mol, XLogP of 11.76, 7 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-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 140694745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).