9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene

C36H36 — CID 123883397

IUPAC9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(CCCCCc1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2
InChIInChI=1S/C36H36/c1-24-7-17-32-33-18-8-25(2)21-35(33)36(34(32)20-24,31-16-15-28-12-14-30(28)23-31)19-5-3-4-6-26-9-10-27-11-13-29(27)22-26/h7-10,15-18,20-23H,3-6,11-14,19H2,1-2H3
InChIKeyIOLKKTAXDHWHGF-UHFFFAOYSA-N
MW468.68 g/mol
LogP8.62
Rot. Bonds7

About 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene (PubChem CID 123883397) has the molecular formula C36H36 and a molecular weight of 468.68 g/mol. Its IUPAC name is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene.

Molecular Properties

Compound Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene
PubChem CID123883397
Molecular FormulaC36H36
Molecular Weight468.68 g/mol
Exact Mass468.28
IUPAC Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(CCCCCc1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2
InChIInChI=1S/C36H36/c1-24-7-17-32-33-18-8-25(2)21-35(33)36(34(32)20-24,31-16-15-28-12-14-30(28)23-31)19-5-3-4-6-26-9-10-27-11-13-29(27)22-26/h7-10,15-18,20-23H,3-6,11-14,19H2,1-2H3
InChIKeyIOLKKTAXDHWHGF-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene with MolForge

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Related Compounds

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene
CID 157486659
3-[8-(3-methylphenyl)octyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58151344
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159912719
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene
CID 157283821
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane
CID 145357210
3-[6-(4-methylphenoxy)hexyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 153457662
3-[10-(4-methylphenoxy)decyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 153457684
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-N-[4-[4-(N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 58251066
3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
1-butyl-3-ethenylbenzene;1-ethenyl-3-hexylbenzene;1-ethenyl-3-methylbenzene;3-hexylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 159227161
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814

Frequently Asked Questions

What is the IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene?
The IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene (CID 123883397) is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene.
What is the SMILES notation for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene?
The canonical SMILES for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene is Cc1ccc2c(c1)C(CCCCCc1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2.
What is the InChIKey of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene?
The InChIKey is IOLKKTAXDHWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36/c1-24-7-17-32-33-18-8-25(2)21-35(33)36(34(32)20-24,31-16-15-28-12-14-30(28)23-31)19-5-3-4-6-26-9-10-27-11-13-29(27)22-26/h7-10,15-18,20-23H,3-6,11-14,19H2,1-2H3.
What are the key properties of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene?
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene has a molecular weight of 468.68 g/mol, XLogP of 8.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene is sourced from PubChem (CID 123883397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).