15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine

C53H34F2N6 — CID 90125610

IUPAC15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
SMILESFc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc(F)cc5)cc5c4c3c(c2)n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34F2N6/c54-39-23-27-43(28-24-39)59(41-17-9-3-10-18-41)45-31-37-21-22-38-32-46(60(42-19-11-4-12-20-42)44-29-25-40(55)26-30-44)34-48-50(38)49(37)47(33-45)61(48)53-57-51(35-13-5-1-6-14-35)56-52(58-53)36-15-7-2-8-16-36/h1-34H
InChIKeyFELVWPQZLZJYTH-UHFFFAOYSA-N
MW792.89 g/mol
LogP14.11
Rot. Bonds9

About 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine (PubChem CID 90125610) has the molecular formula C53H34F2N6 and a molecular weight of 792.89 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine.

Molecular Properties

Compound Name15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
PubChem CID90125610
Molecular FormulaC53H34F2N6
Molecular Weight792.89 g/mol
Exact Mass792.28
IUPAC Name15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
SMILESFc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc(F)cc5)cc5c4c3c(c2)n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34F2N6/c54-39-23-27-43(28-24-39)59(41-17-9-3-10-18-41)45-31-37-21-22-38-32-46(60(42-19-11-4-12-20-42)44-29-25-40(55)26-30-44)34-48-50(38)49(37)47(33-45)61(48)53-57-51(35-13-5-1-6-14-35)56-52(58-53)36-15-7-2-8-16-36/h1-34H
InChIKeyFELVWPQZLZJYTH-UHFFFAOYSA-N
XLogP14.11
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.89
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
The IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine (CID 90125610) is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine.
What is the SMILES notation for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
The canonical SMILES for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine is Fc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc(F)cc5)cc5c4c3c(c2)n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
The InChIKey is FELVWPQZLZJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34F2N6/c54-39-23-27-43(28-24-39)59(41-17-9-3-10-18-41)45-31-37-21-22-38-32-46(60(42-19-11-4-12-20-42)44-29-25-40(55)26-30-44)34-48-50(38)49(37)47(33-45)61(48)53-57-51(35-13-5-1-6-14-35)56-52(58-53)36-15-7-2-8-16-36/h1-34H.
What are the key properties of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine has a molecular weight of 792.89 g/mol, XLogP of 14.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-N,10-N-bis(4-fluorophenyl)-3-N,10-N-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine is sourced from PubChem (CID 90125610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).