2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C58H36N4 — CID 153466231

IUPAC2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc2)c1
InChIInChI=1S/C58H36N4/c1-2-13-40-30-43(28-25-37(40)12-1)57-60-56(39-26-23-38(24-27-39)44-16-11-29-59-36-44)61-58(62-57)47-32-45(54-34-41-14-3-5-17-48(41)50-19-7-9-21-52(50)54)31-46(33-47)55-35-42-15-4-6-18-49(42)51-20-8-10-22-53(51)55/h1-36H
InChIKeyFGTOGNADYOGUSA-UHFFFAOYSA-N
MW788.95 g/mol
LogP15.03
Rot. Bonds6

About 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 153466231) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID153466231
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc2)c1
InChIInChI=1S/C58H36N4/c1-2-13-40-30-43(28-25-37(40)12-1)57-60-56(39-26-23-38(24-27-39)44-16-11-29-59-36-44)61-58(62-57)47-32-45(54-34-41-14-3-5-17-48(41)50-19-7-9-21-52(50)54)31-46(33-47)55-35-42-15-4-6-18-49(42)51-20-8-10-22-53(51)55/h1-36H
InChIKeyFGTOGNADYOGUSA-UHFFFAOYSA-N
XLogP15.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583
2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)
CID 163908236
2-(3-naphthalen-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161484198
5-[3-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466098
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
5-[3-bromo-5-[4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155195932
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 153466231) is 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccc(-c3nc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc2)c1.
What is the InChIKey of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is FGTOGNADYOGUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-2-13-40-30-43(28-25-37(40)12-1)57-60-56(39-26-23-38(24-27-39)44-16-11-29-59-36-44)61-58(62-57)47-32-45(54-34-41-14-3-5-17-48(41)50-19-7-9-21-52(50)54)31-46(33-47)55-35-42-15-4-6-18-49(42)51-20-8-10-22-53(51)55/h1-36H.
What are the key properties of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 788.95 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153466231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).