2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene

C52H32 — CID 58322673

IUPAC2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
SMILESc1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)ccc2c1
InChIInChI=1S/C52H32/c1-3-13-35-29-37(23-21-33(35)11-1)38-25-28-48-50(31-38)52(47-20-10-9-19-46(47)51(48)39-24-22-34-12-2-4-14-36(34)30-39)40-26-27-45-43-17-6-5-15-41(43)42-16-7-8-18-44(42)49(45)32-40/h1-32H
InChIKeyOXAYAXHSOCFEAT-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene

2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene (PubChem CID 58322673) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene.

Molecular Properties

Compound Name2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
PubChem CID58322673
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
SMILESc1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)ccc2c1
InChIInChI=1S/C52H32/c1-3-13-35-29-37(23-21-33(35)11-1)38-25-28-48-50(31-38)52(47-20-10-9-19-46(47)51(48)39-24-22-34-12-2-4-14-36(34)30-39)40-26-27-45-43-17-6-5-15-41(43)42-16-7-8-18-44(42)49(45)32-40/h1-32H
InChIKeyOXAYAXHSOCFEAT-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
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-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723

Frequently Asked Questions

What is the IUPAC name of 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene?
The IUPAC name of 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene (CID 58322673) is 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene.
What is the SMILES notation for 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene?
The canonical SMILES for 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene is c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)ccc2c1.
What is the InChIKey of 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene?
The InChIKey is OXAYAXHSOCFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-3-13-35-29-37(23-21-33(35)11-1)38-25-28-48-50(31-38)52(47-20-10-9-19-46(47)51(48)39-24-22-34-12-2-4-14-36(34)30-39)40-26-27-45-43-17-6-5-15-41(43)42-16-7-8-18-44(42)49(45)32-40/h1-32H.
What are the key properties of 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene?
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene is sourced from PubChem (CID 58322673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).