4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran

C36H26O — CID 163514746

IUPAC4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran
SMILESC1=Cc2c(c3ccccc3c3ccc(-c4cccc(C5=c6oc7ccccc7c6=CCC5)c4)cc23)CC1
InChIInChI=1S/C36H26O/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-2,4-7,9-11,13-15,17-22H,3,8,12,16H2
InChIKeyDFSLCUIRFIDMEK-UHFFFAOYSA-N
MW474.60 g/mol
LogP8.14
Rot. Bonds2

About 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran

4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran (PubChem CID 163514746) has the molecular formula C36H26O and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran.

Molecular Properties

Compound Name4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran
PubChem CID163514746
Molecular FormulaC36H26O
Molecular Weight474.60 g/mol
Exact Mass474.20
IUPAC Name4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran
SMILESC1=Cc2c(c3ccccc3c3ccc(-c4cccc(C5=c6oc7ccccc7c6=CCC5)c4)cc23)CC1
InChIInChI=1S/C36H26O/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-2,4-7,9-11,13-15,17-22H,3,8,12,16H2
InChIKeyDFSLCUIRFIDMEK-UHFFFAOYSA-N
XLogP8.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran 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

6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075813
4-(2,3-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 166876385
4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran
CID 135208765
6-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 155111528
6-methyl-1,2-dihydrotriphenylene
CID 123255484
6-bromo-1,2-dihydrotriphenylene
CID 144751099
2-[3-(7,8-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170219498
2-[8-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167200523
2-[4-[4-(9,10-dihydrotriphenylen-2-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90295397
2-[4-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167007325
1-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-9H-carbazole
CID 129197677
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran?
The IUPAC name of 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran (CID 163514746) is 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran.
What is the SMILES notation for 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran?
The canonical SMILES for 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran is C1=Cc2c(c3ccccc3c3ccc(-c4cccc(C5=c6oc7ccccc7c6=CCC5)c4)cc23)CC1.
What is the InChIKey of 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran?
The InChIKey is DFSLCUIRFIDMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-2,4-7,9-11,13-15,17-22H,3,8,12,16H2.
What are the key properties of 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran?
4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran has a molecular weight of 474.60 g/mol, XLogP of 8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran is sourced from PubChem (CID 163514746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).