1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene

C39H36 — CID 139792875

IUPAC1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
SMILESCC1=CC(C)(C2(c3cccc4c3Cc3ccccc3-4)CCC(c3cccc4c3Cc3ccccc3-4)CC2)C=C1
InChIInChI=1S/C39H36/c1-26-17-20-38(2,25-26)39(37-16-8-15-34-32-12-6-4-10-29(32)24-36(34)37)21-18-27(19-22-39)30-13-7-14-33-31-11-5-3-9-28(31)23-35(30)33/h3-17,20,25,27H,18-19,21-24H2,1-2H3
InChIKeySMRIEOWXAXQSFA-UHFFFAOYSA-N
MW504.72 g/mol
LogP9.95
Rot. Bonds3

About 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene

1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene (PubChem CID 139792875) has the molecular formula C39H36 and a molecular weight of 504.72 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
PubChem CID139792875
Molecular FormulaC39H36
Molecular Weight504.72 g/mol
Exact Mass504.28
IUPAC Name1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
SMILESCC1=CC(C)(C2(c3cccc4c3Cc3ccccc3-4)CCC(c3cccc4c3Cc3ccccc3-4)CC2)C=C1
InChIInChI=1S/C39H36/c1-26-17-20-38(2,25-26)39(37-16-8-15-34-32-12-6-4-10-29(32)24-36(34)37)21-18-27(19-22-39)30-13-7-14-33-31-11-5-3-9-28(31)23-35(30)33/h3-17,20,25,27H,18-19,21-24H2,1-2H3
InChIKeySMRIEOWXAXQSFA-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene with MolForge

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Related Compounds

4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 150882021
1-(1-adamantyl)-9H-fluorene
CID 141137518
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
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(3-methylidenecyclohexyl)-9H-fluorene
CID 175175773
1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
CID 19917330
3-cyclooctyl-3,8-bis(9H-fluoren-1-yl)diazocane
CID 70260078
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1-[5-(2,3-difluorophenyl)-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl]-9H-fluorene
CID 140814711
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
The IUPAC name of 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene (CID 139792875) is 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene.
What is the SMILES notation for 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
The canonical SMILES for 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene is CC1=CC(C)(C2(c3cccc4c3Cc3ccccc3-4)CCC(c3cccc4c3Cc3ccccc3-4)CC2)C=C1.
What is the InChIKey of 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
The InChIKey is SMRIEOWXAXQSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36/c1-26-17-20-38(2,25-26)39(37-16-8-15-34-32-12-6-4-10-29(32)24-36(34)37)21-18-27(19-22-39)30-13-7-14-33-31-11-5-3-9-28(31)23-35(30)33/h3-17,20,25,27H,18-19,21-24H2,1-2H3.
What are the key properties of 1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene has a molecular weight of 504.72 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-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene is sourced from PubChem (CID 139792875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).