2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene

C58H36 — CID 59583077

IUPAC2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C58H36/c1-2-18-37(19-3-1)39-20-4-9-25-45(39)56-48-28-12-16-32-52(48)58(53-33-17-13-29-49(53)56)57-50-30-14-10-26-46(50)55(47-27-11-15-31-51(47)57)38-34-35-44-42-23-6-5-21-40(42)41-22-7-8-24-43(41)54(44)36-38/h1-36H
InChIKeyVBLNFBFEEHFKJV-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.43
Rot. Bonds4

About 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene

2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene (PubChem CID 59583077) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
PubChem CID59583077
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C58H36/c1-2-18-37(19-3-1)39-20-4-9-25-45(39)56-48-28-12-16-32-52(48)58(53-33-17-13-29-49(53)56)57-50-30-14-10-26-46(50)55(47-27-11-15-31-51(47)57)38-34-35-44-42-23-6-5-21-40(42)41-22-7-8-24-43(41)54(44)36-38/h1-36H
InChIKeyVBLNFBFEEHFKJV-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123785417
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339

Frequently Asked Questions

What is the IUPAC name of 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene (CID 59583077) is 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene?
The InChIKey is VBLNFBFEEHFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-2-18-37(19-3-1)39-20-4-9-25-45(39)56-48-28-12-16-32-52(48)58(53-33-17-13-29-49(53)56)57-50-30-14-10-26-46(50)55(47-27-11-15-31-51(47)57)38-34-35-44-42-23-6-5-21-40(42)41-22-7-8-24-43(41)54(44)36-38/h1-36H.
What are the key properties of 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene?
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene has a molecular weight of 732.93 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene is sourced from PubChem (CID 59583077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).