2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile

C31H19N5 — CID 145413810

IUPAC2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3cccc4c3c2-c2nc(C#N)c(C#N)nc2-4)c2ccccc21
InChIInChI=1S/C31H19N5/c1-31(2)20-10-3-5-12-24(20)36(25-13-6-4-11-21(25)31)26-15-14-18-8-7-9-19-27(18)28(26)30-29(19)34-22(16-32)23(17-33)35-30/h3-15H,1-2H3
InChIKeyMEPGMEBOJFDQMH-UHFFFAOYSA-N
MW461.53 g/mol
LogP7.13
Rot. Bonds1

About 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile

2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile (PubChem CID 145413810) has the molecular formula C31H19N5 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
PubChem CID145413810
Molecular FormulaC31H19N5
Molecular Weight461.53 g/mol
Exact Mass461.16
IUPAC Name2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3cccc4c3c2-c2nc(C#N)c(C#N)nc2-4)c2ccccc21
InChIInChI=1S/C31H19N5/c1-31(2)20-10-3-5-12-24(20)36(25-13-6-4-11-21(25)31)26-15-14-18-8-7-9-19-27(18)28(26)30-29(19)34-22(16-32)23(17-33)35-30/h3-15H,1-2H3
InChIKeyMEPGMEBOJFDQMH-UHFFFAOYSA-N
XLogP7.13
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile with MolForge

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Related Compounds

2-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413555
2-(9,9-dimethylacridin-10-yl)-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 145413787
4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413661
4-[4-(9,9-dimethylacridin-10-yl)naphthalen-1-yl]-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 145413605
10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
CID 58489773
6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
CID 145413450
5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543342
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
CID 152826591
8-(9,9-dimethyl-2,7-diphenylacridin-10-yl)naphthalene-1-carbonitrile
CID 122435284
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
4-carbazol-9-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413747

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile (CID 145413810) is 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile is CC1(C)c2ccccc2N(c2ccc3cccc4c3c2-c2nc(C#N)c(C#N)nc2-4)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
The InChIKey is MEPGMEBOJFDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5/c1-31(2)20-10-3-5-12-24(20)36(25-13-6-4-11-21(25)31)26-15-14-18-8-7-9-19-27(18)28(26)30-29(19)34-22(16-32)23(17-33)35-30/h3-15H,1-2H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile has a molecular weight of 461.53 g/mol, XLogP of 7.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile is sourced from PubChem (CID 145413810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).