3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C53H34N4 — CID 170183716

IUPAC3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3c(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cccc3N4c3ccccc3)c2)cc1
InChIInChI=1S/C53H34N4/c1-4-15-35(16-5-1)39-21-12-22-40(33-39)43-31-32-48-49-44(43)25-13-26-45(49)50-46(27-14-28-47(50)57(48)42-23-8-3-9-24-42)53-55-51(37-18-6-2-7-19-37)54-52(56-53)41-30-29-36-17-10-11-20-38(36)34-41/h1-34H
InChIKeyPQMADGYSTRKZEH-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.96
Rot. Bonds6

About 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 170183716) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID170183716
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3c(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cccc3N4c3ccccc3)c2)cc1
InChIInChI=1S/C53H34N4/c1-4-15-35(16-5-1)39-21-12-22-40(33-39)43-31-32-48-49-44(43)25-13-26-45(49)50-46(27-14-28-47(50)57(48)42-23-8-3-9-24-42)53-55-51(37-18-6-2-7-19-37)54-52(56-53)41-30-29-36-17-10-11-20-38(36)34-41/h1-34H
InChIKeyPQMADGYSTRKZEH-UHFFFAOYSA-N
XLogP13.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene 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

12-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3,8-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170183699
6-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8,12-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170183584
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8,12-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170183676
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165012434
2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076782
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine
CID 170183260
2-(2,3-diphenylphenyl)-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297385

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 170183716) is 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is c1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3c(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cccc3N4c3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is PQMADGYSTRKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-15-35(16-5-1)39-21-12-22-40(33-39)43-31-32-48-49-44(43)25-13-26-45(49)50-46(27-14-28-47(50)57(48)42-23-8-3-9-24-42)53-55-51(37-18-6-2-7-19-37)54-52(56-53)41-30-29-36-17-10-11-20-38(36)34-41/h1-34H.
What are the key properties of 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 726.88 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-phenyl-12-(3-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 170183716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).