6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine

C57H37N5 — CID 167285275

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine
SMILESc1ccc(C2=C(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3cccc4ccc5c(c34)c3c2cccc3n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H37N5/c1-6-18-38(19-7-1)39-32-35-45(36-33-39)61(44-27-14-5-15-28-44)54-47-30-16-26-41-34-37-49-53(50(41)47)52-46(51(54)40-20-8-2-9-21-40)29-17-31-48(52)62(49)57-59-55(42-22-10-3-11-23-42)58-56(60-57)43-24-12-4-13-25-43/h1-37H
InChIKeyYOPJIXFEHXLBNJ-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.19
Rot. Bonds8

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine (PubChem CID 167285275) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine
PubChem CID167285275
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine
SMILESc1ccc(C2=C(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3cccc4ccc5c(c34)c3c2cccc3n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H37N5/c1-6-18-38(19-7-1)39-32-35-45(36-33-39)61(44-27-14-5-15-28-44)54-47-30-16-26-41-34-37-49-53(50(41)47)52-46(51(54)40-20-8-2-9-21-40)29-17-31-48(52)62(49)57-59-55(42-22-10-3-11-23-42)58-56(60-57)43-24-12-4-13-25-43/h1-37H
InChIKeyYOPJIXFEHXLBNJ-UHFFFAOYSA-N
XLogP14.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine with MolForge

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Related Compounds

4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 159875577
18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285164
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 146321372
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
CID 162770195
18,19-diphenyl-6-(2-phenylquinazolin-4-yl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285295
23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497776
3-dibenzofuran-3-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285418
23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 165004269
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline
CID 121422435
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285150
23-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 167285408
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 164807780

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine (CID 167285275) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine is c1ccc(C2=C(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3cccc4ccc5c(c34)c3c2cccc3n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine?
The InChIKey is YOPJIXFEHXLBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-6-18-38(19-7-1)39-32-35-45(36-33-39)61(44-27-14-5-15-28-44)54-47-30-16-26-41-34-37-49-53(50(41)47)52-46(51(54)40-20-8-2-9-21-40)29-17-31-48(52)62(49)57-59-55(42-22-10-3-11-23-42)58-56(60-57)43-24-12-4-13-25-43/h1-37H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine has a molecular weight of 791.96 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,18-diphenyl-N-(4-phenylphenyl)-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-19-amine is sourced from PubChem (CID 167285275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).