7,7-dioctylbenzo[c]fluorene

C33H44 — CID 59595496

IUPAC7,7-dioctylbenzo[c]fluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C33H44/c1-3-5-7-9-11-17-25-33(26-18-12-10-8-6-4-2)30-22-16-15-21-29(30)32-28-20-14-13-19-27(28)23-24-31(32)33/h13-16,19-24H,3-12,17-18,25-26H2,1-2H3
InChIKeyIECUJAFPPCPPDR-UHFFFAOYSA-N
MW440.72 g/mol
LogP10.61
Rot. Bonds14

About 7,7-dioctylbenzo[c]fluorene

7,7-dioctylbenzo[c]fluorene (PubChem CID 59595496) has the molecular formula C33H44 and a molecular weight of 440.72 g/mol. Its IUPAC name is 7,7-dioctylbenzo[c]fluorene.

Molecular Properties

Compound Name7,7-dioctylbenzo[c]fluorene
PubChem CID59595496
Molecular FormulaC33H44
Molecular Weight440.72 g/mol
Exact Mass440.34
IUPAC Name7,7-dioctylbenzo[c]fluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C33H44/c1-3-5-7-9-11-17-25-33(26-18-12-10-8-6-4-2)30-22-16-15-21-29(30)32-28-20-14-13-19-27(28)23-24-31(32)33/h13-16,19-24H,3-12,17-18,25-26H2,1-2H3
InChIKeyIECUJAFPPCPPDR-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 510.61
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

9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
carbanide;1-(9,9-dihexylfluoren-2-yl)naphthalen-2-ol;titanium(3+)
CID 59270127
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-dioctyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 59702583
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
3-bromo-9,9-dioctylfluorene
CID 139567905
8,30-bis[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624199
CID 162235627
CID 162235627
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
9,9-dioctylfluorene;2-methylpyrimidine
CID 174872093

Frequently Asked Questions

What is the IUPAC name of 7,7-dioctylbenzo[c]fluorene?
The IUPAC name of 7,7-dioctylbenzo[c]fluorene (CID 59595496) is 7,7-dioctylbenzo[c]fluorene.
What is the SMILES notation for 7,7-dioctylbenzo[c]fluorene?
The canonical SMILES for 7,7-dioctylbenzo[c]fluorene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of 7,7-dioctylbenzo[c]fluorene?
The InChIKey is IECUJAFPPCPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44/c1-3-5-7-9-11-17-25-33(26-18-12-10-8-6-4-2)30-22-16-15-21-29(30)32-28-20-14-13-19-27(28)23-24-31(32)33/h13-16,19-24H,3-12,17-18,25-26H2,1-2H3.
What are the key properties of 7,7-dioctylbenzo[c]fluorene?
7,7-dioctylbenzo[c]fluorene has a molecular weight of 440.72 g/mol, XLogP of 10.61, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioctylbenzo[c]fluorene is sourced from PubChem (CID 59595496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).