2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene

C60H40 — CID 167425257

IUPAC2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1
InChIInChI=1S/C60H40/c1-3-14-41(15-4-1)43-28-30-44(31-29-43)46-19-12-22-49(35-46)52-37-53(50-23-13-21-48(36-50)47-20-11-18-45(34-47)42-16-5-2-6-17-42)39-54(38-52)51-32-33-59-57-26-8-7-24-55(57)56-25-9-10-27-58(56)60(59)40-51/h1-40H
InChIKeyNCNJPICOBJCPTQ-UHFFFAOYSA-N
MW760.98 g/mol
LogP16.82
Rot. Bonds7

About 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene

2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene (PubChem CID 167425257) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
PubChem CID167425257
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1
InChIInChI=1S/C60H40/c1-3-14-41(15-4-1)43-28-30-44(31-29-43)46-19-12-22-49(35-46)52-37-53(50-23-13-21-48(36-50)47-20-11-18-45(34-47)42-16-5-2-6-17-42)39-54(38-52)51-32-33-59-57-26-8-7-24-55(57)56-25-9-10-27-58(56)60(59)40-51/h1-40H
InChIKeyNCNJPICOBJCPTQ-UHFFFAOYSA-N
XLogP16.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
The IUPAC name of 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene (CID 167425257) is 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene.
What is the SMILES notation for 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
The canonical SMILES for 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1.
What is the InChIKey of 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
The InChIKey is NCNJPICOBJCPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-3-14-41(15-4-1)43-28-30-44(31-29-43)46-19-12-22-49(35-46)52-37-53(50-23-13-21-48(36-50)47-20-11-18-45(34-47)42-16-5-2-6-17-42)39-54(38-52)51-32-33-59-57-26-8-7-24-55(57)56-25-9-10-27-58(56)60(59)40-51/h1-40H.
What are the key properties of 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene has a molecular weight of 760.98 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene is sourced from PubChem (CID 167425257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).