2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine

C57H35N3 — CID 176632742

IUPAC2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)n2)cc1
InChIInChI=1S/C57H35N3/c1-3-14-36(15-4-1)41-20-7-12-25-50(41)55-58-56(51-34-32-42(37-16-5-2-6-17-37)43-21-8-10-23-45(43)51)60-57(59-55)52-35-33-47(44-22-9-11-24-46(44)52)48-30-28-40-27-26-38-18-13-19-39-29-31-49(48)54(40)53(38)39/h1-35H
InChIKeyPNCFYSOBQWDNSE-UHFFFAOYSA-N
MW761.93 g/mol
LogP15.08
Rot. Bonds6

About 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine

2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 176632742) has the molecular formula C57H35N3 and a molecular weight of 761.93 g/mol. Its IUPAC name is 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID176632742
Molecular FormulaC57H35N3
Molecular Weight761.93 g/mol
Exact Mass761.28
IUPAC Name2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)n2)cc1
InChIInChI=1S/C57H35N3/c1-3-14-36(15-4-1)41-20-7-12-25-50(41)55-58-56(51-34-32-42(37-16-5-2-6-17-37)43-21-8-10-23-45(43)51)60-57(59-55)52-35-33-47(44-22-9-11-24-46(44)52)48-30-28-40-27-26-38-18-13-19-39-29-31-49(48)54(40)53(38)39/h1-35H
InChIKeyPNCFYSOBQWDNSE-UHFFFAOYSA-N
XLogP15.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.93
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
2-(4-naphthalen-1-ylphenyl)-4-(4-pyren-1-ylphenyl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264883
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416284
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
2-(4-naphthalen-1-ylphenyl)-4-pyren-1-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130264412
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
3-(2-phenylphenyl)perylene
CID 174610298
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine (CID 176632742) is 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)n2)cc1.
What is the InChIKey of 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is PNCFYSOBQWDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3/c1-3-14-36(15-4-1)41-20-7-12-25-50(41)55-58-56(51-34-32-42(37-16-5-2-6-17-37)43-21-8-10-23-45(43)51)60-57(59-55)52-35-33-47(44-22-9-11-24-46(44)52)48-30-28-40-27-26-38-18-13-19-39-29-31-49(48)54(40)53(38)39/h1-35H.
What are the key properties of 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine?
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 761.93 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176632742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).