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

C50H34N4 — CID 137256270

IUPAC2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)=N2)cc1
InChIInChI=1S/C50H34N4/c1-2-10-38(11-3-1)48-52-49(42-21-18-33-8-4-5-12-39(33)29-42)54-50(53-48)45-31-43(35-16-14-34(15-17-35)36-24-26-51-27-25-36)30-44(32-45)40-22-23-47-41(28-40)20-19-37-9-6-7-13-46(37)47/h1-32,49H,(H,52,53,54)
InChIKeyAANORCHQYMNUTK-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.04
Rot. Bonds6

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

2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 137256270) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID137256270
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)=N2)cc1
InChIInChI=1S/C50H34N4/c1-2-10-38(11-3-1)48-52-49(42-21-18-33-8-4-5-12-39(33)29-42)54-50(53-48)45-31-43(35-16-14-34(15-17-35)36-24-26-51-27-25-36)30-44(32-45)40-22-23-47-41(28-40)20-19-37-9-6-7-13-46(37)47/h1-32,49H,(H,52,53,54)
InChIKeyAANORCHQYMNUTK-UHFFFAOYSA-N
XLogP12.04
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.04
H-Bond Donors ≤ 51
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-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084
22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
CID 137146113
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
6-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137145017
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
9-[4-[4-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 163628503
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167007408
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 166995315
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine (CID 137256270) is 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)=N2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is AANORCHQYMNUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-2-10-38(11-3-1)48-52-49(42-21-18-33-8-4-5-12-39(33)29-42)54-50(53-48)45-31-43(35-16-14-34(15-17-35)36-24-26-51-27-25-36)30-44(32-45)40-22-23-47-41(28-40)20-19-37-9-6-7-13-46(37)47/h1-32,49H,(H,52,53,54).
What are the key properties of 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 690.85 g/mol, XLogP of 12.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 137256270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).