9,9-dioctyl-2-(4-phenylphenyl)fluorene

C41H50 — CID 101073015

IUPAC9,9-dioctyl-2-(4-phenylphenyl)fluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C41H50/c1-3-5-7-9-11-18-30-41(31-19-12-10-8-6-4-2)39-23-17-16-22-37(39)38-29-28-36(32-40(38)41)35-26-24-34(25-27-35)33-20-14-13-15-21-33/h13-17,20-29,32H,3-12,18-19,30-31H2,1-2H3
InChIKeySSSSCZSZKPLCKK-UHFFFAOYSA-N
MW542.85 g/mol
LogP12.79
Rot. Bonds16

About 9,9-dioctyl-2-(4-phenylphenyl)fluorene

9,9-dioctyl-2-(4-phenylphenyl)fluorene (PubChem CID 101073015) has the molecular formula C41H50 and a molecular weight of 542.85 g/mol. Its IUPAC name is 9,9-dioctyl-2-(4-phenylphenyl)fluorene.

Molecular Properties

Compound Name9,9-dioctyl-2-(4-phenylphenyl)fluorene
PubChem CID101073015
Molecular FormulaC41H50
Molecular Weight542.85 g/mol
Exact Mass542.39
IUPAC Name9,9-dioctyl-2-(4-phenylphenyl)fluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C41H50/c1-3-5-7-9-11-18-30-41(31-19-12-10-8-6-4-2)39-23-17-16-22-37(39)38-29-28-36(32-40(38)41)35-26-24-34(25-27-35)33-20-14-13-15-21-33/h13-17,20-29,32H,3-12,18-19,30-31H2,1-2H3
InChIKeySSSSCZSZKPLCKK-UHFFFAOYSA-N
XLogP12.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 512.79
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-didodecyl-2,7-diphenylfluorene
CID 139911375
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
2-phenyl-9,9-dipropylfluorene
CID 154114384
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302

Frequently Asked Questions

What is the IUPAC name of 9,9-dioctyl-2-(4-phenylphenyl)fluorene?
The IUPAC name of 9,9-dioctyl-2-(4-phenylphenyl)fluorene (CID 101073015) is 9,9-dioctyl-2-(4-phenylphenyl)fluorene.
What is the SMILES notation for 9,9-dioctyl-2-(4-phenylphenyl)fluorene?
The canonical SMILES for 9,9-dioctyl-2-(4-phenylphenyl)fluorene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dioctyl-2-(4-phenylphenyl)fluorene?
The InChIKey is SSSSCZSZKPLCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50/c1-3-5-7-9-11-18-30-41(31-19-12-10-8-6-4-2)39-23-17-16-22-37(39)38-29-28-36(32-40(38)41)35-26-24-34(25-27-35)33-20-14-13-15-21-33/h13-17,20-29,32H,3-12,18-19,30-31H2,1-2H3.
What are the key properties of 9,9-dioctyl-2-(4-phenylphenyl)fluorene?
9,9-dioctyl-2-(4-phenylphenyl)fluorene has a molecular weight of 542.85 g/mol, XLogP of 12.79, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dioctyl-2-(4-phenylphenyl)fluorene is sourced from PubChem (CID 101073015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).