7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene

C17H15N7 — CID 10495696

IUPAC7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene
SMILESCC1=Nc2nc3c(nc2C2=NCCN12)c(C)nn3-c1ccccc1
InChIInChI=1S/C17H15N7/c1-10-13-17(24(22-10)12-6-4-3-5-7-12)21-15-14(20-13)16-18-8-9-23(16)11(2)19-15/h3-7H,8-9H2,1-2H3
InChIKeyDJRPMQNOBUEGMC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.25
Rot. Bonds1

About 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene

7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene (PubChem CID 10495696) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene.

Molecular Properties

Compound Name7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene
PubChem CID10495696
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene
SMILESCC1=Nc2nc3c(nc2C2=NCCN12)c(C)nn3-c1ccccc1
InChIInChI=1S/C17H15N7/c1-10-13-17(24(22-10)12-6-4-3-5-7-12)21-15-14(20-13)16-18-8-9-23(16)11(2)19-15/h3-7H,8-9H2,1-2H3
InChIKeyDJRPMQNOBUEGMC-UHFFFAOYSA-N
XLogP2.25
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-5-phenyl-3-piperidin-1-ylpyrazolo[5,4-e][1,2,4]triazine
CID 13290929
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
CID 71652871
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
8-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraene
CID 15468412
14-methyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,8,10,13,15-pentaene-7-thione
CID 135536773
N,N-dimethyl-4-[(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)amino]aniline
CID 71653312
[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate
CID 10644671
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
CID 82106387
N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
CID 13381785
N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline
CID 71653166

Frequently Asked Questions

What is the IUPAC name of 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene?
The IUPAC name of 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene (CID 10495696) is 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene.
What is the SMILES notation for 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene?
The canonical SMILES for 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene is CC1=Nc2nc3c(nc2C2=NCCN12)c(C)nn3-c1ccccc1.
What is the InChIKey of 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene?
The InChIKey is DJRPMQNOBUEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-10-13-17(24(22-10)12-6-4-3-5-7-12)21-15-14(20-13)16-18-8-9-23(16)11(2)19-15/h3-7H,8-9H2,1-2H3.
What are the key properties of 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene?
7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene has a molecular weight of 317.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene is sourced from PubChem (CID 10495696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).