2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene

C48H30 — CID 161163612

IUPAC2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
SMILESc1ccc2c(-c3ccc(-c4cccc5ccccc45)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cccc2c1
InChIInChI=1S/C48H30/c1-3-15-35-31(11-1)13-9-21-37(35)43-27-28-46(38-22-10-14-32-12-2-4-16-36(32)38)48-30-34(24-26-45(43)48)33-23-25-44-41-19-6-5-17-39(41)40-18-7-8-20-42(40)47(44)29-33/h1-30H
InChIKeyZHEDZAIJTMMEOL-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene

2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene (PubChem CID 161163612) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene.

Molecular Properties

Compound Name2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
PubChem CID161163612
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
SMILESc1ccc2c(-c3ccc(-c4cccc5ccccc45)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cccc2c1
InChIInChI=1S/C48H30/c1-3-15-35-31(11-1)13-9-21-37(35)43-27-28-46(38-22-10-14-32-12-2-4-16-36(32)38)48-30-34(24-26-45(43)48)33-23-25-44-41-19-6-5-17-39(41)40-18-7-8-20-42(40)47(44)29-33/h1-30H
InChIKeyZHEDZAIJTMMEOL-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
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-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene?
The IUPAC name of 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene (CID 161163612) is 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene.
What is the SMILES notation for 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene?
The canonical SMILES for 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene is c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cccc2c1.
What is the InChIKey of 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene?
The InChIKey is ZHEDZAIJTMMEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-15-35-31(11-1)13-9-21-37(35)43-27-28-46(38-22-10-14-32-12-2-4-16-36(32)38)48-30-34(24-26-45(43)48)33-23-25-44-41-19-6-5-17-39(41)40-18-7-8-20-42(40)47(44)29-33/h1-30H.
What are the key properties of 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene?
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene is sourced from PubChem (CID 161163612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).