2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran

C54H34O — CID 118349959

IUPAC2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6ccc(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H34O/c1-2-10-35(11-3-1)36-20-22-37(23-21-36)38-12-8-13-39(30-38)43-25-28-53-51(33-43)52-34-44(26-29-54(52)55-53)41-15-9-14-40(31-41)42-24-27-49-47-18-5-4-16-45(47)46-17-6-7-19-48(46)50(49)32-42/h1-34H
InChIKeyLPZFEGDKDRERBP-UHFFFAOYSA-N
MW698.87 g/mol
LogP15.38
Rot. Bonds5

About 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran

2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran (PubChem CID 118349959) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
PubChem CID118349959
Molecular FormulaC54H34O
Molecular Weight698.87 g/mol
Exact Mass698.26
IUPAC Name2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6ccc(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H34O/c1-2-10-35(11-3-1)36-20-22-37(23-21-36)38-12-8-13-39(30-38)43-25-28-53-51(33-43)52-34-44(26-29-54(52)55-53)41-15-9-14-40(31-41)42-24-27-49-47-18-5-4-16-45(47)46-17-6-7-19-48(46)50(49)32-42/h1-34H
InChIKeyLPZFEGDKDRERBP-UHFFFAOYSA-N
XLogP15.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-phenyl-8-(7-triphenylen-2-ylnaphthalen-2-yl)dibenzofuran
CID 58569708
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran?
The IUPAC name of 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran (CID 118349959) is 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran.
What is the SMILES notation for 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran?
The canonical SMILES for 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran is c1ccc(-c2ccc(-c3cccc(-c4ccc5oc6ccc(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc6c5c4)c3)cc2)cc1.
What is the InChIKey of 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran?
The InChIKey is LPZFEGDKDRERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-2-10-35(11-3-1)36-20-22-37(23-21-36)38-12-8-13-39(30-38)43-25-28-53-51(33-43)52-34-44(26-29-54(52)55-53)41-15-9-14-40(31-41)42-24-27-49-47-18-5-4-16-45(47)46-17-6-7-19-48(46)50(49)32-42/h1-34H.
What are the key properties of 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran?
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran has a molecular weight of 698.87 g/mol, XLogP of 15.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran is sourced from PubChem (CID 118349959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).