1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene

C24H24 — CID 139925058

IUPAC1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene
SMILESCC1(C)CC(C)(c2cccc3c2Cc2ccccc2-3)C2=C1C=CC2
InChIInChI=1S/C24H24/c1-23(2)15-24(3,22-13-7-12-21(22)23)20-11-6-10-18-17-9-5-4-8-16(17)14-19(18)20/h4-12H,13-15H2,1-3H3
InChIKeyRHHXLNHEZZLEJH-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.20
Rot. Bonds1

About 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene

1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene (PubChem CID 139925058) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene
PubChem CID139925058
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene
SMILESCC1(C)CC(C)(c2cccc3c2Cc2ccccc2-3)C2=C1C=CC2
InChIInChI=1S/C24H24/c1-23(2)15-24(3,22-13-7-12-21(22)23)20-11-6-10-18-17-9-5-4-8-16(17)14-19(18)20/h4-12H,13-15H2,1-3H3
InChIKeyRHHXLNHEZZLEJH-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
CID 19917330
1-(1-adamantyl)-9H-fluorene
CID 141137518
2-[2-(9H-fluoren-1-yl)cyclopenta-1,4-dien-1-yl]ethanol
CID 23303814
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
CID 123562270
CID 123562270
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
1-methylsulfonyl-9H-fluorene
CID 150271326
1-[6a-cyclopenta-1,3-dien-1-yl-5-(9H-fluoren-1-yl)-2-methyl-1,3,3a,4,5,6-hexahydropentalen-2-yl]-9H-fluorene
CID 139792874
Fluorenylsilane
CID 22104606
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
3-(9H-fluoren-1-yl)benzene-1,2-diamine
CID 66643080

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene?
The IUPAC name of 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene (CID 139925058) is 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene.
What is the SMILES notation for 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene?
The canonical SMILES for 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene is CC1(C)CC(C)(c2cccc3c2Cc2ccccc2-3)C2=C1C=CC2.
What is the InChIKey of 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene?
The InChIKey is RHHXLNHEZZLEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-23(2)15-24(3,22-13-7-12-21(22)23)20-11-6-10-18-17-9-5-4-8-16(17)14-19(18)20/h4-12H,13-15H2,1-3H3.
What are the key properties of 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene?
1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene has a molecular weight of 312.46 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene is sourced from PubChem (CID 139925058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).