9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene

C57H40 — CID 177079795

IUPAC9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene
SMILESc1ccc(-c2cccc(-c3ccc(C(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C57H40/c1-4-17-40(18-5-1)45-24-16-25-46(35-45)43-31-33-44(34-32-43)57(50-37-48(41-19-6-2-7-20-41)36-49(38-50)42-21-8-3-9-22-42)55-30-15-14-29-54(55)56-39-47-23-10-11-26-51(47)52-27-12-13-28-53(52)56/h1-39,57H
InChIKeyMWMWKZISQDGRBS-UHFFFAOYSA-N
MW724.95 g/mol
LogP15.51
Rot. Bonds8

About 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene

9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene (PubChem CID 177079795) has the molecular formula C57H40 and a molecular weight of 724.95 g/mol. Its IUPAC name is 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene
PubChem CID177079795
Molecular FormulaC57H40
Molecular Weight724.95 g/mol
Exact Mass724.31
IUPAC Name9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene
SMILESc1ccc(-c2cccc(-c3ccc(C(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C57H40/c1-4-17-40(18-5-1)45-24-16-25-46(35-45)43-31-33-44(34-32-43)57(50-37-48(41-19-6-2-7-20-41)36-49(38-50)42-21-8-3-9-22-42)55-30-15-14-29-54(55)56-39-47-23-10-11-26-51(47)52-27-12-13-28-53(52)56/h1-39,57H
InChIKeyMWMWKZISQDGRBS-UHFFFAOYSA-N
XLogP15.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
CID 91356771
1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 177274790
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 139384481
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
10-(2-chlorophenyl)-2-phenylphenanthrene
CID 172565671
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811

Frequently Asked Questions

What is the IUPAC name of 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene?
The IUPAC name of 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene (CID 177079795) is 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene.
What is the SMILES notation for 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene?
The canonical SMILES for 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene is c1ccc(-c2cccc(-c3ccc(C(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene?
The InChIKey is MWMWKZISQDGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40/c1-4-17-40(18-5-1)45-24-16-25-46(35-45)43-31-33-44(34-32-43)57(50-37-48(41-19-6-2-7-20-41)36-49(38-50)42-21-8-3-9-22-42)55-30-15-14-29-54(55)56-39-47-23-10-11-26-51(47)52-27-12-13-28-53(52)56/h1-39,57H.
What are the key properties of 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene?
9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene has a molecular weight of 724.95 g/mol, XLogP of 15.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[(3,5-diphenylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenanthrene is sourced from PubChem (CID 177079795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).