N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine

C53H34N4O — CID 170183292

IUPACN-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc5c(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc(c35)O4)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-15-37(16-5-1)51-54-52(38-17-6-2-7-18-38)56-53(55-51)46-24-13-25-47-50(46)45-23-12-22-44-43(32-33-48(58-47)49(44)45)36-27-29-41(30-28-36)57(40-20-8-3-9-21-40)42-31-26-35-14-10-11-19-39(35)34-42/h1-34H
InChIKeySJPRFULDEYBZHA-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.09
Rot. Bonds7

About N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 170183292) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID170183292
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC NameN-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc5c(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc(c35)O4)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-15-37(16-5-1)51-54-52(38-17-6-2-7-18-38)56-53(55-51)46-24-13-25-47-50(46)45-23-12-22-44-43(32-33-48(58-47)49(44)45)36-27-29-41(30-28-36)57(40-20-8-3-9-21-40)42-31-26-35-14-10-11-19-39(35)34-42/h1-34H
InChIKeySJPRFULDEYBZHA-UHFFFAOYSA-N
XLogP14.09
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine
CID 170182999
12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine
CID 170183004
2-naphthalen-2-yl-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-6-yl)-1,3,5-triazine
CID 170182884
2-[4-(4-naphthalen-2-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]-4,6-diphenyl-1,3,5-triazine
CID 170183075
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine
CID 170183169
2-phenyl-4,6-bis(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-yl)-1,3,5-triazine
CID 170183027
2-[3-(3-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-3-phenylquinoxaline
CID 170183223
12-(4,6-diphenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-amine
CID 170183244
N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline
CID 174305983
N-(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-N-phenylaniline
CID 174304431
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 170183292) is N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc5c(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)ccc(c35)O4)n2)cc1.
What is the InChIKey of N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is SJPRFULDEYBZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-4-15-37(16-5-1)51-54-52(38-17-6-2-7-18-38)56-53(55-51)46-24-13-25-47-50(46)45-23-12-22-44-43(32-33-48(58-47)49(44)45)36-27-29-41(30-28-36)57(40-20-8-3-9-21-40)42-31-26-35-14-10-11-19-39(35)34-42/h1-34H.
What are the key properties of N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 742.88 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170183292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).