3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran

C59H40O — CID 59136900

IUPAC3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C59H40O/c1-2-10-40(11-3-1)50-14-8-15-51(38-50)43-26-32-48(33-27-43)59(49-34-28-46(29-35-49)54-18-9-13-45-12-4-5-16-53(45)54)47-30-24-42(25-31-47)41-20-22-44(23-21-41)52-36-37-56-55-17-6-7-19-57(55)60-58(56)39-52/h1-39,59H
InChIKeyKDDFFJWRIHTHKX-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.25
Rot. Bonds8

About 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran

3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (PubChem CID 59136900) has the molecular formula C59H40O and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
PubChem CID59136900
Molecular FormulaC59H40O
Molecular Weight764.97 g/mol
Exact Mass764.31
IUPAC Name3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C59H40O/c1-2-10-40(11-3-1)50-14-8-15-51(38-50)43-26-32-48(33-27-43)59(49-34-28-46(29-35-49)54-18-9-13-45-12-4-5-16-53(45)54)47-30-24-42(25-31-47)41-20-22-44(23-21-41)52-36-37-56-55-17-6-7-19-57(55)60-58(56)39-52/h1-39,59H
InChIKeyKDDFFJWRIHTHKX-UHFFFAOYSA-N
XLogP16.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]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-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136756
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004
9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59137038
9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136995
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164822821
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (CID 59136900) is 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c2)cc1.
What is the InChIKey of 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The InChIKey is KDDFFJWRIHTHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40O/c1-2-10-40(11-3-1)50-14-8-15-51(38-50)43-26-32-48(33-27-43)59(49-34-28-46(29-35-49)54-18-9-13-45-12-4-5-16-53(45)54)47-30-24-42(25-31-47)41-20-22-44(23-21-41)52-36-37-56-55-17-6-7-19-57(55)60-58(56)39-52/h1-39,59H.
What are the key properties of 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 764.97 g/mol, XLogP of 16.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).