9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene

C50H68 — CID 123512551

IUPAC9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene
SMILESCCCCCCCCC1(C(CC)CCCCCCC)c2cc(C(C)(C)c3ccccc3)ccc2-c2ccc(C(C)(CC)c3ccccc3)cc21
InChIInChI=1S/C50H68/c1-8-12-14-16-18-26-36-50(39(10-3)27-21-17-15-13-9-2)46-37-42(48(5,6)40-28-22-19-23-29-40)32-34-44(46)45-35-33-43(38-47(45)50)49(7,11-4)41-30-24-20-25-31-41/h19-20,22-25,28-35,37-39H,8-18,21,26-27,36H2,1-7H3
InChIKeyBGMMOYBGKAVGOC-UHFFFAOYSA-N
MW669.09 g/mol
LogP15.13
Rot. Bonds20

About 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene

9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene (PubChem CID 123512551) has the molecular formula C50H68 and a molecular weight of 669.09 g/mol. Its IUPAC name is 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene.

Molecular Properties

Compound Name9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene
PubChem CID123512551
Molecular FormulaC50H68
Molecular Weight669.09 g/mol
Exact Mass668.53
IUPAC Name9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene
SMILESCCCCCCCCC1(C(CC)CCCCCCC)c2cc(C(C)(C)c3ccccc3)ccc2-c2ccc(C(C)(CC)c3ccccc3)cc21
InChIInChI=1S/C50H68/c1-8-12-14-16-18-26-36-50(39(10-3)27-21-17-15-13-9-2)46-37-42(48(5,6)40-28-22-19-23-29-40)32-34-44(46)45-35-33-43(38-47(45)50)49(7,11-4)41-30-24-20-25-31-41/h19-20,22-25,28-35,37-39H,8-18,21,26-27,36H2,1-7H3
InChIKeyBGMMOYBGKAVGOC-UHFFFAOYSA-N
XLogP15.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.09
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene with MolForge

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Related Compounds

9,9-bis(6-bromohexyl)-2,7-bis(2-phenylpropan-2-yl)fluorene
CID 123792037
2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 143498644
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
9,9-dimethyl-2-(4-methylphenyl)-7-(2-phenylbutan-2-yl)fluorene
CID 143306948
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
1,1,2-triphenyltetradecan-1-amine
CID 87776795

Frequently Asked Questions

What is the IUPAC name of 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene?
The IUPAC name of 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene (CID 123512551) is 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene.
What is the SMILES notation for 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene?
The canonical SMILES for 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene is CCCCCCCCC1(C(CC)CCCCCCC)c2cc(C(C)(C)c3ccccc3)ccc2-c2ccc(C(C)(CC)c3ccccc3)cc21.
What is the InChIKey of 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene?
The InChIKey is BGMMOYBGKAVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H68/c1-8-12-14-16-18-26-36-50(39(10-3)27-21-17-15-13-9-2)46-37-42(48(5,6)40-28-22-19-23-29-40)32-34-44(46)45-35-33-43(38-47(45)50)49(7,11-4)41-30-24-20-25-31-41/h19-20,22-25,28-35,37-39H,8-18,21,26-27,36H2,1-7H3.
What are the key properties of 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene?
9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene has a molecular weight of 669.09 g/mol, XLogP of 15.13, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-decan-3-yl-9-octyl-2-(2-phenylbutan-2-yl)-7-(2-phenylpropan-2-yl)fluorene is sourced from PubChem (CID 123512551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).