1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene

C32H32 — CID 158942053

IUPAC1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene
SMILESCC1CC(c2ccccc2)(c2cccc3c2Cc2ccccc2-3)C2C=C(C(C)(C)C)C=C12
InChIInChI=1S/C32H32/c1-21-20-32(23-12-6-5-7-13-23,30-19-24(18-27(21)30)31(2,3)4)29-16-10-15-26-25-14-9-8-11-22(25)17-28(26)29/h5-16,18-19,21,30H,17,20H2,1-4H3
InChIKeyPTGWXCHGYCDQPX-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.11
Rot. Bonds2

About 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene

1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene (PubChem CID 158942053) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene
PubChem CID158942053
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene
SMILESCC1CC(c2ccccc2)(c2cccc3c2Cc2ccccc2-3)C2C=C(C(C)(C)C)C=C12
InChIInChI=1S/C32H32/c1-21-20-32(23-12-6-5-7-13-23,30-19-24(18-27(21)30)31(2,3)4)29-16-10-15-26-25-14-9-8-11-22(25)17-28(26)29/h5-16,18-19,21,30H,17,20H2,1-4H3
InChIKeyPTGWXCHGYCDQPX-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 131725120
1-(1-adamantyl)-9H-fluorene
CID 141137518
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
5-tert-butyl-1-methyl-3-phenyl-1,2,3,3a-tetrahydropentalene
CID 141144536
2-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)propyl]-9H-fluorene
CID 91015575
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
CID 19917330
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
CID 123562270
CID 123562270
chromium;9H-fluorene
CID 161167703
1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene
CID 87787624

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene?
The IUPAC name of 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene (CID 158942053) is 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene.
What is the SMILES notation for 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene?
The canonical SMILES for 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene is CC1CC(c2ccccc2)(c2cccc3c2Cc2ccccc2-3)C2C=C(C(C)(C)C)C=C12.
What is the InChIKey of 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene?
The InChIKey is PTGWXCHGYCDQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-21-20-32(23-12-6-5-7-13-23,30-19-24(18-27(21)30)31(2,3)4)29-16-10-15-26-25-14-9-8-11-22(25)17-28(26)29/h5-16,18-19,21,30H,17,20H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene?
1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene has a molecular weight of 416.61 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3-methyl-1-phenyl-3,6a-dihydro-2H-pentalen-1-yl)-9H-fluorene is sourced from PubChem (CID 158942053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).