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

C40H36 — CID 139792874

IUPAC1-[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
SMILESCC1(c2cccc3c2Cc2ccccc2-3)CC2CC(c3cccc4c3Cc3ccccc3-4)CC2(C2=CC=CC2)C1
InChIInChI=1S/C40H36/c1-39(38-19-9-18-35-32-15-7-3-11-27(32)22-37(35)38)24-30-20-28(23-40(30,25-39)29-12-4-5-13-29)33-16-8-17-34-31-14-6-2-10-26(31)21-36(33)34/h2-12,14-19,28,30H,13,20-25H2,1H3
InChIKeyORXAKEKSBFCESH-UHFFFAOYSA-N
MW516.73 g/mol
LogP9.95
Rot. Bonds3

About 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

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 (PubChem CID 139792874) has the molecular formula C40H36 and a molecular weight of 516.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID139792874
Molecular FormulaC40H36
Molecular Weight516.73 g/mol
Exact Mass516.28
IUPAC Name1-[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
SMILESCC1(c2cccc3c2Cc2ccccc2-3)CC2CC(c3cccc4c3Cc3ccccc3-4)CC2(C2=CC=CC2)C1
InChIInChI=1S/C40H36/c1-39(38-19-9-18-35-32-15-7-3-11-27(32)22-37(35)38)24-30-20-28(23-40(30,25-39)29-12-4-5-13-29)33-16-8-17-34-31-14-6-2-10-26(31)21-36(33)34/h2-12,14-19,28,30H,13,20-25H2,1H3
InChIKeyORXAKEKSBFCESH-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
CID 19917330
1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
CID 139792875
1-(1-adamantyl)-9H-fluorene
CID 141137518
1-[5-(2,3-difluorophenyl)-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl]-9H-fluorene
CID 140814711
4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
1-(1,3,3-trimethyl-2,6-dihydropentalen-1-yl)-9H-fluorene
CID 139925058
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium;dihydrochloride
CID 173337763
3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 150882021
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;dichlorozirconium
CID 140968929
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]
CID 139627305

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(c2cccc3c2Cc2ccccc2-3)CC2CC(c3cccc4c3Cc3ccccc3-4)CC2(C2=CC=CC2)C1.
What is the InChIKey of 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?
The InChIKey is ORXAKEKSBFCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36/c1-39(38-19-9-18-35-32-15-7-3-11-27(32)22-37(35)38)24-30-20-28(23-40(30,25-39)29-12-4-5-13-29)33-16-8-17-34-31-14-6-2-10-26(31)21-36(33)34/h2-12,14-19,28,30H,13,20-25H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 516.73 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139792874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).