2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene

C41H62 — CID 58151394

IUPAC2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
SMILESCc1ccc2c(c1)C(CCCCCCCCC1(C)CCC1)(CCCCCCCCC1(C)CCC1)c1cc(C)ccc1-2
InChIInChI=1S/C41H62/c1-33-19-21-35-36-22-20-34(2)32-38(36)41(37(35)31-33,29-15-11-7-5-9-13-23-39(3)25-17-26-39)30-16-12-8-6-10-14-24-40(4)27-18-28-40/h19-22,31-32H,5-18,23-30H2,1-4H3
InChIKeyXCQSCGWUJCUVDL-UHFFFAOYSA-N
MW554.95 g/mol
LogP13.19
Rot. Bonds18

About 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene

2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene (PubChem CID 58151394) has the molecular formula C41H62 and a molecular weight of 554.95 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene.

Molecular Properties

Compound Name2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
PubChem CID58151394
Molecular FormulaC41H62
Molecular Weight554.95 g/mol
Exact Mass554.49
IUPAC Name2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
SMILESCc1ccc2c(c1)C(CCCCCCCCC1(C)CCC1)(CCCCCCCCC1(C)CCC1)c1cc(C)ccc1-2
InChIInChI=1S/C41H62/c1-33-19-21-35-36-22-20-34(2)32-38(36)41(37(35)31-33,29-15-11-7-5-9-13-23-39(3)25-17-26-39)30-16-12-8-6-10-14-24-40(4)27-18-28-40/h19-22,31-32H,5-18,23-30H2,1-4H3
InChIKeyXCQSCGWUJCUVDL-UHFFFAOYSA-N
XLogP13.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.95
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
CID 158580747
CID 173488082
CID 173488082
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane
CID 144837119
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene?
The IUPAC name of 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene (CID 58151394) is 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene.
What is the SMILES notation for 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene?
The canonical SMILES for 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene is Cc1ccc2c(c1)C(CCCCCCCCC1(C)CCC1)(CCCCCCCCC1(C)CCC1)c1cc(C)ccc1-2.
What is the InChIKey of 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene?
The InChIKey is XCQSCGWUJCUVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H62/c1-33-19-21-35-36-22-20-34(2)32-38(36)41(37(35)31-33,29-15-11-7-5-9-13-23-39(3)25-17-26-39)30-16-12-8-6-10-14-24-40(4)27-18-28-40/h19-22,31-32H,5-18,23-30H2,1-4H3.
What are the key properties of 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene?
2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene has a molecular weight of 554.95 g/mol, XLogP of 13.19, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene is sourced from PubChem (CID 58151394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).