ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene

C39H40 — CID 91469252

IUPACethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
SMILESCC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C33H22.3C2H6/c1-2-10-22(11-3-1)32-28-14-6-8-16-30(28)33(31-17-9-7-15-29(31)32)24-18-19-27-25(21-24)20-23-12-4-5-13-26(23)27;3*1-2/h1-19,21H,20H2;3*1-2H3
InChIKeyJLQPFLHUSPDAMW-UHFFFAOYSA-N
MW508.75 g/mol
LogP11.98
Rot. Bonds2

About ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene

ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene (PubChem CID 91469252) has the molecular formula C39H40 and a molecular weight of 508.75 g/mol. Its IUPAC name is ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene.

Molecular Properties

Compound Nameethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
PubChem CID91469252
Molecular FormulaC39H40
Molecular Weight508.75 g/mol
Exact Mass508.31
IUPAC Nameethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
SMILESCC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C33H22.3C2H6/c1-2-10-22(11-3-1)32-28-14-6-8-16-30(28)33(31-17-9-7-15-29(31)32)24-18-19-27-25(21-24)20-23-12-4-5-13-26(23)27;3*1-2/h1-19,21H,20H2;3*1-2H3
InChIKeyJLQPFLHUSPDAMW-UHFFFAOYSA-N
XLogP11.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene 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 ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene?
The IUPAC name of ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene (CID 91469252) is ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene.
What is the SMILES notation for ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene?
The canonical SMILES for ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene is CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene?
The InChIKey is JLQPFLHUSPDAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22.3C2H6/c1-2-10-22(11-3-1)32-28-14-6-8-16-30(28)33(31-17-9-7-15-29(31)32)24-18-19-27-25(21-24)20-23-12-4-5-13-26(23)27;3*1-2/h1-19,21H,20H2;3*1-2H3.
What are the key properties of ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene?
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene has a molecular weight of 508.75 g/mol, XLogP of 11.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene is sourced from PubChem (CID 91469252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).