2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]

C29H22N2 — CID 11211692

IUPAC2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]
SMILESCc1ccc(C2=NC3(C(c4ccc(C)cc4)=N2)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C29H22N2/c1-19-11-15-21(16-12-19)27-29(31-28(30-27)22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)29/h3-18H,1-2H3
InChIKeyYACORQGLYOTXNW-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.48
Rot. Bonds2

About 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]

2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole] (PubChem CID 11211692) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole].

Molecular Properties

Compound Name2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]
PubChem CID11211692
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]
SMILESCc1ccc(C2=NC3(C(c4ccc(C)cc4)=N2)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C29H22N2/c1-19-11-15-21(16-12-19)27-29(31-28(30-27)22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)29/h3-18H,1-2H3
InChIKeyYACORQGLYOTXNW-UHFFFAOYSA-N
XLogP6.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole] 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',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]?
The IUPAC name of 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole] (CID 11211692) is 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole].
What is the SMILES notation for 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]?
The canonical SMILES for 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole] is Cc1ccc(C2=NC3(C(c4ccc(C)cc4)=N2)c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]?
The InChIKey is YACORQGLYOTXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-19-11-15-21(16-12-19)27-29(31-28(30-27)22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)29/h3-18H,1-2H3.
What are the key properties of 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]?
2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole] has a molecular weight of 398.51 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',5'-bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole] is sourced from PubChem (CID 11211692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).