3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene

C28H24N2 — CID 90311127

IUPAC3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
SMILESc1ccc(C2NC(c3ccccc3)C3c4ccccc4Nc4ccccc4C23)cc1
InChIInChI=1S/C28H24N2/c1-3-11-19(12-4-1)27-25-21-15-7-9-17-23(21)29-24-18-10-8-16-22(24)26(25)28(30-27)20-13-5-2-6-14-20/h1-18,25-30H
InChIKeyOQSDLNOGKVRCJT-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.70
Rot. Bonds2

About 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene

3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene (PubChem CID 90311127) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene.

Molecular Properties

Compound Name3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
PubChem CID90311127
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
SMILESc1ccc(C2NC(c3ccccc3)C3c4ccccc4Nc4ccccc4C23)cc1
InChIInChI=1S/C28H24N2/c1-3-11-19(12-4-1)27-25-21-15-7-9-17-23(21)29-24-18-10-8-16-22(24)26(25)28(30-27)20-13-5-2-6-14-20/h1-18,25-30H
InChIKeyOQSDLNOGKVRCJT-UHFFFAOYSA-N
XLogP6.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
The IUPAC name of 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene (CID 90311127) is 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene.
What is the SMILES notation for 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
The canonical SMILES for 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene is c1ccc(C2NC(c3ccccc3)C3c4ccccc4Nc4ccccc4C23)cc1.
What is the InChIKey of 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
The InChIKey is OQSDLNOGKVRCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-3-11-19(12-4-1)27-25-21-15-7-9-17-23(21)29-24-18-10-8-16-22(24)26(25)28(30-27)20-13-5-2-6-14-20/h1-18,25-30H.
What are the key properties of 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene has a molecular weight of 388.51 g/mol, XLogP of 6.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene is sourced from PubChem (CID 90311127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).