9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene

C42H50 — CID 19706088

IUPAC9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene
SMILESCCCCCCCC(C1c2ccccc2-c2ccccc21)C(CCCCCCC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H50/c1-3-5-7-9-11-25-39(41-35-27-17-13-21-31(35)32-22-14-18-28-36(32)41)40(26-12-10-8-6-4-2)42-37-29-19-15-23-33(37)34-24-16-20-30-38(34)42/h13-24,27-30,39-42H,3-12,25-26H2,1-2H3
InChIKeyNPFMSSJQAZCMCD-UHFFFAOYSA-N
MW554.86 g/mol
LogP12.56
Rot. Bonds15

About 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene

9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene (PubChem CID 19706088) has the molecular formula C42H50 and a molecular weight of 554.86 g/mol. Its IUPAC name is 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene
PubChem CID19706088
Molecular FormulaC42H50
Molecular Weight554.86 g/mol
Exact Mass554.39
IUPAC Name9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene
SMILESCCCCCCCC(C1c2ccccc2-c2ccccc21)C(CCCCCCC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H50/c1-3-5-7-9-11-25-39(41-35-27-17-13-21-31(35)32-22-14-18-28-36(32)41)40(26-12-10-8-6-4-2)42-37-29-19-15-23-33(37)34-24-16-20-30-38(34)42/h13-24,27-30,39-42H,3-12,25-26H2,1-2H3
InChIKeyNPFMSSJQAZCMCD-UHFFFAOYSA-N
XLogP12.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.86
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene 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 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene?
The IUPAC name of 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene (CID 19706088) is 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene.
What is the SMILES notation for 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene?
The canonical SMILES for 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene is CCCCCCCC(C1c2ccccc2-c2ccccc21)C(CCCCCCC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene?
The InChIKey is NPFMSSJQAZCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50/c1-3-5-7-9-11-25-39(41-35-27-17-13-21-31(35)32-22-14-18-28-36(32)41)40(26-12-10-8-6-4-2)42-37-29-19-15-23-33(37)34-24-16-20-30-38(34)42/h13-24,27-30,39-42H,3-12,25-26H2,1-2H3.
What are the key properties of 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene?
9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene has a molecular weight of 554.86 g/mol, XLogP of 12.56, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(9H-fluoren-9-yl)hexadecan-8-yl]-9H-fluorene is sourced from PubChem (CID 19706088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).