15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine

C31H24N6 — CID 3803298

IUPAC15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21
InChIInChI=1S/C31H24N6/c1-21-27-28(22-13-5-2-6-14-22)36-26-20-12-11-19-25(26)33-29(32-23-15-7-3-8-16-23)31(36)34-30(27)37(35-21)24-17-9-4-10-18-24/h2-20,28H,1H3,(H,32,33)
InChIKeyZNUWKICUNOTMJD-UHFFFAOYSA-N
MW480.58 g/mol
LogP6.98
Rot. Bonds3

About 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine

15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine (PubChem CID 3803298) has the molecular formula C31H24N6 and a molecular weight of 480.58 g/mol. Its IUPAC name is 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine.

Molecular Properties

Compound Name15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
PubChem CID3803298
Molecular FormulaC31H24N6
Molecular Weight480.58 g/mol
Exact Mass480.21
IUPAC Name15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21
InChIInChI=1S/C31H24N6/c1-21-27-28(22-13-5-2-6-14-22)36-26-20-12-11-19-25(26)33-29(32-23-15-7-3-8-16-23)31(36)34-30(27)37(35-21)24-17-9-4-10-18-24/h2-20,28H,1H3,(H,32,33)
InChIKeyZNUWKICUNOTMJD-UHFFFAOYSA-N
XLogP6.98
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine?
The IUPAC name of 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine (CID 3803298) is 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine.
What is the SMILES notation for 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine?
The canonical SMILES for 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine is Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21.
What is the InChIKey of 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine?
The InChIKey is ZNUWKICUNOTMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N6/c1-21-27-28(22-13-5-2-6-14-22)36-26-20-12-11-19-25(26)33-29(32-23-15-7-3-8-16-23)31(36)34-30(27)37(35-21)24-17-9-4-10-18-24/h2-20,28H,1H3,(H,32,33).
What are the key properties of 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine?
15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine has a molecular weight of 480.58 g/mol, XLogP of 6.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-N,13,17-triphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine is sourced from PubChem (CID 3803298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).