9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

C35H40 — CID 140850336

IUPAC9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1=CC2C3C=C(C)C(C)=CC3C(C(c3ccccc3)(c3ccccc3)C3CCCC3)C2C=C1C
InChIInChI=1S/C35H40/c1-23-19-30-31-20-24(2)26(4)22-33(31)34(32(30)21-25(23)3)35(29-17-11-12-18-29,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,19-22,29-34H,11-12,17-18H2,1-4H3
InChIKeyIYOCXKUXOOXJCC-UHFFFAOYSA-N
MW460.71 g/mol
LogP9.07
Rot. Bonds4

About 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 140850336) has the molecular formula C35H40 and a molecular weight of 460.71 g/mol. Its IUPAC name is 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID140850336
Molecular FormulaC35H40
Molecular Weight460.71 g/mol
Exact Mass460.31
IUPAC Name9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1=CC2C3C=C(C)C(C)=CC3C(C(c3ccccc3)(c3ccccc3)C3CCCC3)C2C=C1C
InChIInChI=1S/C35H40/c1-23-19-30-31-20-24(2)26(4)22-33(31)34(32(30)21-25(23)3)35(29-17-11-12-18-29,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,19-22,29-34H,11-12,17-18H2,1-4H3
InChIKeyIYOCXKUXOOXJCC-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Related Compounds

carbanide;3,6-ditert-butyl-9-[cyclopentyl(diphenyl)methyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)
CID 162279278
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
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123653723
1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
CID 143707750
4-[(4-hydroxycyclohexyl)-diphenylmethyl]cyclohexan-1-ol
CID 139824839
[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
CID 141345973
(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
CID 150061832
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
2-tert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162270340
2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140694745

Frequently Asked Questions

What is the IUPAC name of 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 140850336) is 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is CC1=CC2C3C=C(C)C(C)=CC3C(C(c3ccccc3)(c3ccccc3)C3CCCC3)C2C=C1C.
What is the InChIKey of 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is IYOCXKUXOOXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40/c1-23-19-30-31-20-24(2)26(4)22-33(31)34(32(30)21-25(23)3)35(29-17-11-12-18-29,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,19-22,29-34H,11-12,17-18H2,1-4H3.
What are the key properties of 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 460.71 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 140850336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).