3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran

C38H24O — CID 174107449

IUPAC3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c1
InChIInChI=1S/C38H24O/c1-2-11-30-28(9-1)23-36(33-14-6-5-12-31(30)33)32-13-4-3-10-29(32)26-19-17-25(18-20-26)27-21-22-35-34-15-7-8-16-37(34)39-38(35)24-27/h1-24H
InChIKeyBYGLYHOISBZXTP-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.89
Rot. Bonds3

About 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran

3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran (PubChem CID 174107449) has the molecular formula C38H24O and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
PubChem CID174107449
Molecular FormulaC38H24O
Molecular Weight496.61 g/mol
Exact Mass496.18
IUPAC Name3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c1
InChIInChI=1S/C38H24O/c1-2-11-30-28(9-1)23-36(33-14-6-5-12-31(30)33)32-13-4-3-10-29(32)26-19-17-25(18-20-26)27-21-22-35-34-15-7-8-16-37(34)39-38(35)24-27/h1-24H
InChIKeyBYGLYHOISBZXTP-UHFFFAOYSA-N
XLogP10.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran 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

3-naphthalen-2-yl-7-[6-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]dibenzofuran;3-naphthalen-2-yl-7-[6-(5-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]dibenzofuran;3-naphthalen-2-yl-7-[6-(2-phenanthren-9-ylphenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-2-yl-7-[7-(2-phenanthren-9-ylphenyl)naphthalen-2-yl]dibenzofuran
CID 161351984
3-phenanthren-9-yl-7-(7-phenanthren-9-ylnaphthalen-2-yl)dibenzofuran
CID 58569881
4-[2-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[2-(4-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 158579416
7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 153303292
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran
CID 121287519
5-(4-phenanthren-9-ylnaphthalen-1-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 149025857
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
3-[10-[3-[3-[10-(10-dibenzofuran-3-ylanthracen-9-yl)phenanthren-3-yl]phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170261010
2-phenanthren-9-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176617071
3-naphthalen-2-yldibenzofuran
CID 68932481

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran?
The IUPAC name of 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran (CID 174107449) is 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran is c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c1.
What is the InChIKey of 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran?
The InChIKey is BYGLYHOISBZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O/c1-2-11-30-28(9-1)23-36(33-14-6-5-12-31(30)33)32-13-4-3-10-29(32)26-19-17-25(18-20-26)27-21-22-35-34-15-7-8-16-37(34)39-38(35)24-27/h1-24H.
What are the key properties of 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran?
3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran has a molecular weight of 496.61 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 174107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).