2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine

C44H31NO — CID 154602507

IUPAC2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C44H31NO/c1-44(2)38-22-21-32(23-35(38)36-27-43-37(26-39(36)44)34-15-9-10-16-42(34)46-43)29-17-19-31(20-18-29)41-25-33(28-11-5-3-6-12-28)24-40(45-41)30-13-7-4-8-14-30/h3-27H,1-2H3
InChIKeyJPTMXSRJVJZAJW-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.96
Rot. Bonds4

About 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine

2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 154602507) has the molecular formula C44H31NO and a molecular weight of 589.74 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
PubChem CID154602507
Molecular FormulaC44H31NO
Molecular Weight589.74 g/mol
Exact Mass589.24
IUPAC Name2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C44H31NO/c1-44(2)38-22-21-32(23-35(38)36-27-43-37(26-39(36)44)34-15-9-10-16-42(34)46-43)29-17-19-31(20-18-29)41-25-33(28-11-5-3-6-12-28)24-40(45-41)30-13-7-4-8-14-30/h3-27H,1-2H3
InChIKeyJPTMXSRJVJZAJW-UHFFFAOYSA-N
XLogP11.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine 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

2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
2-[3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)phenyl]-4,6-diphenylpyridine
CID 154602531
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
CID 129023365
CID 129023365
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
16,16-dimethyl-20-[3-(10-phenylanthracen-9-yl)phenyl]-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 130211904
CID 129023472
CID 129023472
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2,6-diphenylpyridine;4-[4-(9,9-dimethyl-6-naphthalen-1-ylfluoren-2-yl)phenyl]dibenzofuran;2-[9,9-dimethyl-7-(6-phenyldibenzofuran-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159282220
2-dibenzofuran-4-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine (CID 154602507) is 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine is CC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc3oc4ccccc4c3cc21.
What is the InChIKey of 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is JPTMXSRJVJZAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NO/c1-44(2)38-22-21-32(23-35(38)36-27-43-37(26-39(36)44)34-15-9-10-16-42(34)46-43)29-17-19-31(20-18-29)41-25-33(28-11-5-3-6-12-28)24-40(45-41)30-13-7-4-8-14-30/h3-27H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine?
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine has a molecular weight of 589.74 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 154602507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).