2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene

C39H44 — CID 155614174

IUPAC2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene
SMILESC=CCCCCCCC1(c2cc(C)ccc2C)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21
InChIInChI=1S/C39H44/c1-6-8-9-10-11-14-25-39(37-26-28(3)17-18-30(37)5)36-16-13-12-15-34(36)35-24-23-33(27-38(35)39)32-21-19-31(20-22-32)29(4)7-2/h6,12-13,15-24,26-27,29H,1,7-11,14,25H2,2-5H3
InChIKeyCJVRDDNAFXXXLK-UHFFFAOYSA-N
MW512.78 g/mol
LogP11.33
Rot. Bonds11

About 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene

2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene (PubChem CID 155614174) has the molecular formula C39H44 and a molecular weight of 512.78 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene
PubChem CID155614174
Molecular FormulaC39H44
Molecular Weight512.78 g/mol
Exact Mass512.34
IUPAC Name2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene
SMILESC=CCCCCCCC1(c2cc(C)ccc2C)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21
InChIInChI=1S/C39H44/c1-6-8-9-10-11-14-25-39(37-26-28(3)17-18-30(37)5)36-16-13-12-15-34(36)35-24-23-33(27-38(35)39)32-21-19-31(20-22-32)29(4)7-2/h6,12-13,15-24,26-27,29H,1,7-11,14,25H2,2-5H3
InChIKeyCJVRDDNAFXXXLK-UHFFFAOYSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enyl-7-phenylfluorene
CID 155614214
2-(4-butan-2-ylphenyl)-9-but-3-enyl-9-(2,5-dimethylphenyl)-7-phenylfluorene
CID 155614191
2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene
CID 158112944
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline
CID 88559551
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 157390320
[3-[7-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]-9,9-dioctylfluoren-2-yl]-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-(1H-pyrrol-2-yl)methanone
CID 59302115
N-[4-[5-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]-2-methylphenyl]phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164803659
N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline
CID 58720503

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene?
The IUPAC name of 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene (CID 155614174) is 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene is C=CCCCCCCC1(c2cc(C)ccc2C)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene?
The InChIKey is CJVRDDNAFXXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44/c1-6-8-9-10-11-14-25-39(37-26-28(3)17-18-30(37)5)36-16-13-12-15-34(36)35-24-23-33(27-38(35)39)32-21-19-31(20-22-32)29(4)7-2/h6,12-13,15-24,26-27,29H,1,7-11,14,25H2,2-5H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene?
2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene has a molecular weight of 512.78 g/mol, XLogP of 11.33, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene is sourced from PubChem (CID 155614174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).