7-methyl-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

C24H18N6 — CID 3076974

IUPAC7-methyl-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
SMILESCC1c2nnc(-c3ccccc3)n2-c2ccccc2-n2c(-c3ccccc3)nnc21
InChIInChI=1S/C24H18N6/c1-16-21-25-27-23(17-10-4-2-5-11-17)29(21)19-14-8-9-15-20(19)30-22(16)26-28-24(30)18-12-6-3-7-13-18/h2-16H,1H3
InChIKeyBZPPISRHFQGMOO-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.65
Rot. Bonds2

About 7-methyl-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

7-methyl-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 3076974) has the molecular formula C24H18N6 and a molecular weight of 390.45 g/mol. Its IUPAC name is 7-methyl-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 Name7-methyl-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 CID3076974
Molecular FormulaC24H18N6
Molecular Weight390.45 g/mol
Exact Mass390.16
IUPAC Name7-methyl-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
SMILESCC1c2nnc(-c3ccccc3)n2-c2ccccc2-n2c(-c3ccccc3)nnc21
InChIInChI=1S/C24H18N6/c1-16-21-25-27-23(17-10-4-2-5-11-17)29(21)19-14-8-9-15-20(19)30-22(16)26-28-24(30)18-12-6-3-7-13-18/h2-16H,1H3
InChIKeyBZPPISRHFQGMOO-UHFFFAOYSA-N
XLogP4.65
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-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 7-methyl-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 7-methyl-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 3076974) is 7-methyl-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 7-methyl-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 7-methyl-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 CC1c2nnc(-c3ccccc3)n2-c2ccccc2-n2c(-c3ccccc3)nnc21.
What is the InChIKey of 7-methyl-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 BZPPISRHFQGMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6/c1-16-21-25-27-23(17-10-4-2-5-11-17)29(21)19-14-8-9-15-20(19)30-22(16)26-28-24(30)18-12-6-3-7-13-18/h2-16H,1H3.
What are the key properties of 7-methyl-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?
7-methyl-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 390.45 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-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 3076974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).