9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene

C41H56 — CID 140798164

IUPAC9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene
SMILESC=CCCCCC1(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C41H56/c1-8-11-14-17-20-34-27-35(21-18-15-12-9-2)29-36(28-34)41(22-19-16-13-10-3)39-25-32(6)30(4)23-37(39)38-24-31(5)33(7)26-40(38)41/h10,23-29H,3,8-9,11-22H2,1-2,4-7H3
InChIKeyYEVIASOPMWYPLM-UHFFFAOYSA-N
MW548.90 g/mol
LogP12.23
Rot. Bonds16

About 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene

9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene (PubChem CID 140798164) has the molecular formula C41H56 and a molecular weight of 548.90 g/mol. Its IUPAC name is 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene.

Molecular Properties

Compound Name9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene
PubChem CID140798164
Molecular FormulaC41H56
Molecular Weight548.90 g/mol
Exact Mass548.44
IUPAC Name9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene
SMILESC=CCCCCC1(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C41H56/c1-8-11-14-17-20-34-27-35(21-18-15-12-9-2)29-36(28-34)41(22-19-16-13-10-3)39-25-32(6)30(4)23-37(39)38-24-31(5)33(7)26-40(38)41/h10,23-29H,3,8-9,11-22H2,1-2,4-7H3
InChIKeyYEVIASOPMWYPLM-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.90
LogP ≤ 512.23
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'}

Analyze 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
2-tert-butyl-9-(3-hexyl-5-methylphenyl)-7-(2-methylbutan-2-yl)-9-[4-[4-(4-octylphenyl)phenyl]butyl]fluorene
CID 123995996
2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene
CID 90191586
2-bromo-5-heptyl-1,3-dimethylbenzene;2-bromo-5-iodo-1,3-dimethylbenzene;hept-1-ene
CID 157139707
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene
CID 157486659
2-[9-(3,5-dihexylphenyl)-3,6,9-trimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90270791
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
octadecane;octadec-1-ene
CID 162018238
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene?
The IUPAC name of 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene (CID 140798164) is 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene.
What is the SMILES notation for 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene?
The canonical SMILES for 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene is C=CCCCCC1(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21.
What is the InChIKey of 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene?
The InChIKey is YEVIASOPMWYPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56/c1-8-11-14-17-20-34-27-35(21-18-15-12-9-2)29-36(28-34)41(22-19-16-13-10-3)39-25-32(6)30(4)23-37(39)38-24-31(5)33(7)26-40(38)41/h10,23-29H,3,8-9,11-22H2,1-2,4-7H3.
What are the key properties of 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene?
9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene has a molecular weight of 548.90 g/mol, XLogP of 12.23, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dihexylphenyl)-9-hex-5-enyl-2,3,6,7-tetramethylfluorene is sourced from PubChem (CID 140798164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).