bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine

C176H112N16 — CID 158250597

IUPACbis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c34)n2)cc1
InChIInChI=1S/4C44H28N4/c1-3-13-32(14-4-1)42-46-43(33-15-5-2-6-16-33)48-44(47-42)38-23-12-18-30-17-11-22-34(40(30)38)29-25-27-31(28-26-29)41-37-21-8-7-19-35(37)36-20-9-10-24-39(36)45-41;1-3-12-32(13-4-1)42-46-43(33-14-5-2-6-15-33)48-44(47-42)34-27-24-29-16-11-20-35(39(29)28-34)30-22-25-31(26-23-30)41-38-19-8-7-17-36(38)37-18-9-10-21-40(37)45-41;2*1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)34-26-27-36-33(28-34)16-11-20-35(36)29-22-24-30(25-23-29)41-39-19-8-7-17-37(39)38-18-9-10-21-40(38)45-41/h4*1-28H
InChIKeyGGQYJSWIUPJQFB-UHFFFAOYSA-N
MW2450.94 g/mol
LogP44.24
Rot. Bonds20

About bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine

bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine (PubChem CID 158250597) has the molecular formula C176H112N16 and a molecular weight of 2450.94 g/mol. Its IUPAC name is bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine.

Molecular Properties

Compound Namebis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
PubChem CID158250597
Molecular FormulaC176H112N16
Molecular Weight2450.94 g/mol
Exact Mass2448.93
IUPAC Namebis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c34)n2)cc1
InChIInChI=1S/4C44H28N4/c1-3-13-32(14-4-1)42-46-43(33-15-5-2-6-16-33)48-44(47-42)38-23-12-18-30-17-11-22-34(40(30)38)29-25-27-31(28-26-29)41-37-21-8-7-19-35(37)36-20-9-10-24-39(36)45-41;1-3-12-32(13-4-1)42-46-43(33-14-5-2-6-15-33)48-44(47-42)34-27-24-29-16-11-20-35(39(29)28-34)30-22-25-31(26-23-30)41-38-19-8-7-17-36(38)37-18-9-10-21-40(37)45-41;2*1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)34-26-27-36-33(28-34)16-11-20-35(36)29-22-24-30(25-23-29)41-39-19-8-7-17-37(39)38-18-9-10-21-40(38)45-41/h4*1-28H
InChIKeyGGQYJSWIUPJQFB-UHFFFAOYSA-N
XLogP44.24
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.94
LogP ≤ 544.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine with MolForge

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Related Compounds

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076845
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076868
2-benzo[g]phenanthren-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170132140
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165038702
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157471965
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754

Frequently Asked Questions

What is the IUPAC name of bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine?
The IUPAC name of bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine (CID 158250597) is bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine.
What is the SMILES notation for bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine?
The canonical SMILES for bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c34)n2)cc1.
What is the InChIKey of bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine?
The InChIKey is GGQYJSWIUPJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H28N4/c1-3-13-32(14-4-1)42-46-43(33-15-5-2-6-16-33)48-44(47-42)38-23-12-18-30-17-11-22-34(40(30)38)29-25-27-31(28-26-29)41-37-21-8-7-19-35(37)36-20-9-10-24-39(36)45-41;1-3-12-32(13-4-1)42-46-43(33-14-5-2-6-15-33)48-44(47-42)34-27-24-29-16-11-20-35(39(29)28-34)30-22-25-31(26-23-30)41-38-19-8-7-17-36(38)37-18-9-10-21-40(37)45-41;2*1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)34-26-27-36-33(28-34)16-11-20-35(36)29-22-24-30(25-23-29)41-39-19-8-7-17-37(39)38-18-9-10-21-40(38)45-41/h4*1-28H.
What are the key properties of bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine?
bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine has a molecular weight of 2450.94 g/mol, XLogP of 44.24, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine is sourced from PubChem (CID 158250597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).