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

C42H36 — CID 19917330

IUPAC1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
SMILESC1=CCC(C2(c3cccc4c3Cc3ccccc3-4)CCC(C3=CC=CC3)(c3cccc4c3Cc3ccccc3-4)CC2)=C1
InChIInChI=1S/C42H36/c1-7-17-33-29(11-1)27-37-35(33)19-9-21-39(37)41(31-13-3-4-14-31)23-25-42(26-24-41,32-15-5-6-16-32)40-22-10-20-36-34-18-8-2-12-30(34)28-38(36)40/h1-13,15,17-22H,14,16,23-28H2
InChIKeyIXDXEXXWVQAKGM-UHFFFAOYSA-N
MW540.75 g/mol
LogP10.35
Rot. Bonds4

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

1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene (PubChem CID 19917330) has the molecular formula C42H36 and a molecular weight of 540.75 g/mol. Its IUPAC name is 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene.

Molecular Properties

Compound Name1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
PubChem CID19917330
Molecular FormulaC42H36
Molecular Weight540.75 g/mol
Exact Mass540.28
IUPAC Name1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
SMILESC1=CCC(C2(c3cccc4c3Cc3ccccc3-4)CCC(C3=CC=CC3)(c3cccc4c3Cc3ccccc3-4)CC2)=C1
InChIInChI=1S/C42H36/c1-7-17-33-29(11-1)27-37-35(33)19-9-21-39(37)41(31-13-3-4-14-31)23-25-42(26-24-41,32-15-5-6-16-32)40-22-10-20-36-34-18-8-2-12-30(34)28-38(36)40/h1-13,15,17-22H,14,16,23-28H2
InChIKeyIXDXEXXWVQAKGM-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

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-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
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
1-(1-adamantyl)-9H-fluorene
CID 141137518
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;dichlorozirconium
CID 140968929
CID 123562270
CID 123562270
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
Fluorenylsilane
CID 22104606

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
The IUPAC name of 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene (CID 19917330) is 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene.
What is the SMILES notation for 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
The canonical SMILES for 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene is C1=CCC(C2(c3cccc4c3Cc3ccccc3-4)CCC(C3=CC=CC3)(c3cccc4c3Cc3ccccc3-4)CC2)=C1.
What is the InChIKey of 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
The InChIKey is IXDXEXXWVQAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36/c1-7-17-33-29(11-1)27-37-35(33)19-9-21-39(37)41(31-13-3-4-14-31)23-25-42(26-24-41,32-15-5-6-16-32)40-22-10-20-36-34-18-8-2-12-30(34)28-38(36)40/h1-13,15,17-22H,14,16,23-28H2.
What are the key properties of 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene?
1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene has a molecular weight of 540.75 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-di(cyclopenta-1,3-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene is sourced from PubChem (CID 19917330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).