6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

C32H20N2 — CID 15537567

IUPAC6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2nc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc(n2)c3c45)cc1
InChIInChI=1S/C32H20N2/c1-4-10-21(11-5-1)26-20-27(22-12-6-2-7-13-22)25-17-19-29-31-28(18-16-24(26)30(25)31)33-32(34-29)23-14-8-3-9-15-23/h1-20H
InChIKeyWKTCOXLYEMSJAL-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.38
Rot. Bonds3

About 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (PubChem CID 15537567) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.

Molecular Properties

Compound Name6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
PubChem CID15537567
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2nc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc(n2)c3c45)cc1
InChIInChI=1S/C32H20N2/c1-4-10-21(11-5-1)26-20-27(22-12-6-2-7-13-22)25-17-19-29-31-28(18-16-24(26)30(25)31)33-32(34-29)23-14-8-3-9-15-23/h1-20H
InChIKeyWKTCOXLYEMSJAL-UHFFFAOYSA-N
XLogP8.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The IUPAC name of 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (CID 15537567) is 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.
What is the SMILES notation for 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The canonical SMILES for 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is c1ccc(-c2nc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc(n2)c3c45)cc1.
What is the InChIKey of 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The InChIKey is WKTCOXLYEMSJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-4-10-21(11-5-1)26-20-27(22-12-6-2-7-13-22)25-17-19-29-31-28(18-16-24(26)30(25)31)33-32(34-29)23-14-8-3-9-15-23/h1-20H.
What are the key properties of 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene has a molecular weight of 432.53 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,14-triphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is sourced from PubChem (CID 15537567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).