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

C40H50 — CID 162270340

IUPAC2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1
InChIInChI=1S/C40H50/c1-6-7-14-29-20-21-33(26-29)40(30-15-10-8-11-16-30,31-17-12-9-13-18-31)38-36-25-28(2)19-23-34(36)35-24-22-32(27-37(35)38)39(3,4)5/h8-13,15-19,22-25,27,29,33-38H,6-7,14,20-21,26H2,1-5H3
InChIKeyAHUCTSZEMLSITJ-UHFFFAOYSA-N
MW530.84 g/mol
LogP10.73
Rot. Bonds7

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

2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 162270340) has the molecular formula C40H50 and a molecular weight of 530.84 g/mol. Its IUPAC name is 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID162270340
Molecular FormulaC40H50
Molecular Weight530.84 g/mol
Exact Mass530.39
IUPAC Name2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1
InChIInChI=1S/C40H50/c1-6-7-14-29-20-21-33(26-29)40(30-15-10-8-11-16-30,31-17-12-9-13-18-31)38-36-25-28(2)19-23-34(36)35-24-22-32(27-37(35)38)39(3,4)5/h8-13,15-19,22-25,27,29,33-38H,6-7,14,20-21,26H2,1-5H3
InChIKeyAHUCTSZEMLSITJ-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.84
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140694745
2,7-ditert-butyl-9-[(3-pentylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140576056
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
2-tert-butyl-7-methyl-9-[2-(3-pent-4-enylcyclopentyl)-2,2-diphenylethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162277050
but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane
CID 59637840
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
carbanide;12-[cyclopentyl-bis(4-methylphenyl)methyl]-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;2,7-ditert-butyl-9-[cyclopentyl(diphenyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+))
CID 162279296
[3-[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)methyl]cyclopentyl]-but-3-enyl-dimethylsilane;2-tert-butyl-9-(2-cyclopentylhept-6-en-2-yl)-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2-tert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;9-(2-cyclopentylhept-6-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[[3-(2-methylhex-5-en-2-yl)cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162276833
2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59637812
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
butylcyclopentane;2-tert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(dichlorozirconium(2+));1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162276918

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 162270340) is 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is CCCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.
What is the InChIKey of 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is AHUCTSZEMLSITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50/c1-6-7-14-29-20-21-33(26-29)40(30-15-10-8-11-16-30,31-17-12-9-13-18-31)38-36-25-28(2)19-23-34(36)35-24-22-32(27-37(35)38)39(3,4)5/h8-13,15-19,22-25,27,29,33-38H,6-7,14,20-21,26H2,1-5H3.
What are the key properties of 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 530.84 g/mol, XLogP of 10.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 162270340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).