4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline

C18H15N7 — CID 135603427

IUPAC4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3nc4[nH]c5ccccc5c4nn23)cc1
InChIInChI=1S/C18H15N7/c1-24(2)12-9-7-11(8-10-12)17-21-22-18-20-16-15(23-25(17)18)13-5-3-4-6-14(13)19-16/h3-10H,1-2H3,(H,19,20,22)
InChIKeyDMOIXQKWBMWSJI-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.89
Rot. Bonds2

About 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline

4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline (PubChem CID 135603427) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline
PubChem CID135603427
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc3nc4[nH]c5ccccc5c4nn23)cc1
InChIInChI=1S/C18H15N7/c1-24(2)12-9-7-11(8-10-12)17-21-22-18-20-16-15(23-25(17)18)13-5-3-4-6-14(13)19-16/h3-10H,1-2H3,(H,19,20,22)
InChIKeyDMOIXQKWBMWSJI-UHFFFAOYSA-N
XLogP2.89
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline with MolForge

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Related Compounds

8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
CID 117058463
ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 91259298
3-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ylsulfanyl)propanoic acid
CID 135603421
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6409984
(1,3-dioxoisoindol-2-yl)methyl 2-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ylsulfanyl)acetate
CID 135531991
5H-[1,2,4]triazino[5,6-b]indole-3-thiolate
CID 6412479
N-methyl-N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 23827369
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514
N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 155539497
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
CID 145089608
4-N-methyl-4-N-(4-methylphenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
CID 71524816

Frequently Asked Questions

What is the IUPAC name of 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline (CID 135603427) is 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc3nc4[nH]c5ccccc5c4nn23)cc1.
What is the InChIKey of 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline?
The InChIKey is DMOIXQKWBMWSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-24(2)12-9-7-11(8-10-12)17-21-22-18-20-16-15(23-25(17)18)13-5-3-4-6-14(13)19-16/h3-10H,1-2H3,(H,19,20,22).
What are the key properties of 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline?
4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline has a molecular weight of 329.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-yl)-N,N-dimethylaniline is sourced from PubChem (CID 135603427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).