2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene

C44H46 — CID 140798131

IUPAC2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene
SMILESC=CCCCC1(c2ccccc2)c2cc(-c3cc(CC)ccc3CC)ccc2-c2ccc(-c3cc(CC)ccc3CC)cc21
InChIInChI=1S/C44H46/c1-6-11-15-26-44(37-16-13-12-14-17-37)42-29-35(40-27-31(7-2)18-20-33(40)9-4)22-24-38(42)39-25-23-36(30-43(39)44)41-28-32(8-3)19-21-34(41)10-5/h6,12-14,16-25,27-30H,1,7-11,15,26H2,2-5H3
InChIKeyBSRSNZBHTJGVRB-UHFFFAOYSA-N
MW574.85 g/mol
LogP11.94
Rot. Bonds11

About 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene

2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene (PubChem CID 140798131) has the molecular formula C44H46 and a molecular weight of 574.85 g/mol. Its IUPAC name is 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene.

Molecular Properties

Compound Name2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene
PubChem CID140798131
Molecular FormulaC44H46
Molecular Weight574.85 g/mol
Exact Mass574.36
IUPAC Name2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene
SMILESC=CCCCC1(c2ccccc2)c2cc(-c3cc(CC)ccc3CC)ccc2-c2ccc(-c3cc(CC)ccc3CC)cc21
InChIInChI=1S/C44H46/c1-6-11-15-26-44(37-16-13-12-14-17-37)42-29-35(40-27-31(7-2)18-20-33(40)9-4)22-24-38(42)39-25-23-36(30-43(39)44)41-28-32(8-3)19-21-34(41)10-5/h6,12-14,16-25,27-30H,1,7-11,15,26H2,2-5H3
InChIKeyBSRSNZBHTJGVRB-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.85
LogP ≤ 511.94
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 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene?
The IUPAC name of 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene (CID 140798131) is 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene.
What is the SMILES notation for 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene?
The canonical SMILES for 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene is C=CCCCC1(c2ccccc2)c2cc(-c3cc(CC)ccc3CC)ccc2-c2ccc(-c3cc(CC)ccc3CC)cc21.
What is the InChIKey of 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene?
The InChIKey is BSRSNZBHTJGVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46/c1-6-11-15-26-44(37-16-13-12-14-17-37)42-29-35(40-27-31(7-2)18-20-33(40)9-4)22-24-38(42)39-25-23-36(30-43(39)44)41-28-32(8-3)19-21-34(41)10-5/h6,12-14,16-25,27-30H,1,7-11,15,26H2,2-5H3.
What are the key properties of 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene?
2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene has a molecular weight of 574.85 g/mol, XLogP of 11.94, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene is sourced from PubChem (CID 140798131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).