3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene

C23H16N6 — CID 3076975

IUPAC3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
SMILESc1ccc(-c2nnc3n2-c2ccccc2-n2c(nnc2-c2ccccc2)C3)cc1
InChIInChI=1S/C23H16N6/c1-3-9-16(10-4-1)22-26-24-20-15-21-25-27-23(17-11-5-2-6-12-17)29(21)19-14-8-7-13-18(19)28(20)22/h1-14H,15H2
InChIKeyJPLGNGRTRPBDFU-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.09
Rot. Bonds2

About 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene

3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene (PubChem CID 3076975) has the molecular formula C23H16N6 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene.

Molecular Properties

Compound Name3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
PubChem CID3076975
Molecular FormulaC23H16N6
Molecular Weight376.42 g/mol
Exact Mass376.14
IUPAC Name3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
SMILESc1ccc(-c2nnc3n2-c2ccccc2-n2c(nnc2-c2ccccc2)C3)cc1
InChIInChI=1S/C23H16N6/c1-3-9-16(10-4-1)22-26-24-20-15-21-25-27-23(17-11-5-2-6-12-17)29(21)19-14-8-7-13-18(19)28(20)22/h1-14H,15H2
InChIKeyJPLGNGRTRPBDFU-UHFFFAOYSA-N
XLogP4.09
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene?
The IUPAC name of 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene (CID 3076975) is 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene.
What is the SMILES notation for 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene?
The canonical SMILES for 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene is c1ccc(-c2nnc3n2-c2ccccc2-n2c(nnc2-c2ccccc2)C3)cc1.
What is the InChIKey of 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene?
The InChIKey is JPLGNGRTRPBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6/c1-3-9-16(10-4-1)22-26-24-20-15-21-25-27-23(17-11-5-2-6-12-17)29(21)19-14-8-7-13-18(19)28(20)22/h1-14H,15H2.
What are the key properties of 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene?
3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene has a molecular weight of 376.42 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene is sourced from PubChem (CID 3076975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).