(1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene

C24H24N4 — CID 170856898

IUPAC(1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene
SMILESC1=C(c2ccccc2)/C=N/[C@H]2C[C@@H]2N/C=C(c2ccccc2)/C=N/[C@@H]2C[C@H]2N1
InChIInChI=1S/C24H24N4/c1-3-7-17(8-4-1)19-13-25-21-11-23(21)27-15-20(18-9-5-2-6-10-18)16-28-24-12-22(24)26-14-19/h1-10,13-16,21-25,28H,11-12H2/b19-13-,20-16?,26-14+,27-15+/t21-,22+,23-,24+/m0/s1
InChIKeyITQNIEHTIJRSKV-OOGAXTJGSA-N
MW368.48 g/mol
LogP3.68
Rot. Bonds2

About (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene

(1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene (PubChem CID 170856898) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene.

Molecular Properties

Compound Name(1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene
PubChem CID170856898
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name(1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene
SMILESC1=C(c2ccccc2)/C=N/[C@H]2C[C@@H]2N/C=C(c2ccccc2)/C=N/[C@@H]2C[C@H]2N1
InChIInChI=1S/C24H24N4/c1-3-7-17(8-4-1)19-13-25-21-11-23(21)27-15-20(18-9-5-2-6-10-18)16-28-24-12-22(24)26-14-19/h1-10,13-16,21-25,28H,11-12H2/b19-13-,20-16?,26-14+,27-15+/t21-,22+,23-,24+/m0/s1
InChIKeyITQNIEHTIJRSKV-OOGAXTJGSA-N
XLogP3.68
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene?
The IUPAC name of (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene (CID 170856898) is (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene.
What is the SMILES notation for (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene?
The canonical SMILES for (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene is C1=C(c2ccccc2)/C=N/[C@H]2C[C@@H]2N/C=C(c2ccccc2)/C=N/[C@@H]2C[C@H]2N1.
What is the InChIKey of (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene?
The InChIKey is ITQNIEHTIJRSKV-OOGAXTJGSA-N. The full InChI is InChI=1S/C24H24N4/c1-3-7-17(8-4-1)19-13-25-21-11-23(21)27-15-20(18-9-5-2-6-10-18)16-28-24-12-22(24)26-14-19/h1-10,13-16,21-25,28H,11-12H2/b19-13-,20-16?,26-14+,27-15+/t21-,22+,23-,24+/m0/s1.
What are the key properties of (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene?
(1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene has a molecular weight of 368.48 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,7S,9S,15R)-4,12-diphenyl-2,6,10,14-tetrazatricyclo[13.1.0.07,9]hexadeca-2,4,10,12-tetraene is sourced from PubChem (CID 170856898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).