4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

C27H18N6 — CID 3095008

IUPAC4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1ccc(-c2cc3n(n2)c2cc(-c4ccccc4)nn2c2cc(-c4ccccc4)nn32)cc1
InChIInChI=1S/C27H18N6/c1-4-10-19(11-5-1)22-16-25-31(28-22)26-17-23(20-12-6-2-7-13-20)30-33(26)27-18-24(29-32(25)27)21-14-8-3-9-15-21/h1-18H
InChIKeyXCHPHOSDFRSBBC-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.63
Rot. Bonds3

About 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (PubChem CID 3095008) has the molecular formula C27H18N6 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

Molecular Properties

Compound Name4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
PubChem CID3095008
Molecular FormulaC27H18N6
Molecular Weight426.48 g/mol
Exact Mass426.16
IUPAC Name4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1ccc(-c2cc3n(n2)c2cc(-c4ccccc4)nn2c2cc(-c4ccccc4)nn32)cc1
InChIInChI=1S/C27H18N6/c1-4-10-19(11-5-1)22-16-25-31(28-22)26-17-23(20-12-6-2-7-13-20)30-33(26)27-18-24(29-32(25)27)21-14-8-3-9-15-21/h1-18H
InChIKeyXCHPHOSDFRSBBC-UHFFFAOYSA-N
XLogP5.63
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The IUPAC name of 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (CID 3095008) is 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.
What is the SMILES notation for 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The canonical SMILES for 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is c1ccc(-c2cc3n(n2)c2cc(-c4ccccc4)nn2c2cc(-c4ccccc4)nn32)cc1.
What is the InChIKey of 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The InChIKey is XCHPHOSDFRSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6/c1-4-10-19(11-5-1)22-16-25-31(28-22)26-17-23(20-12-6-2-7-13-20)30-33(26)27-18-24(29-32(25)27)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene has a molecular weight of 426.48 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14-triphenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is sourced from PubChem (CID 3095008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).