17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile

C29H17N3 — CID 164528712

IUPAC17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(C#N)cc4n4c5cc(C#N)ccc5c(c21)c34
InChIInChI=1S/C29H17N3/c1-29(2)23-6-4-3-5-18(23)21-13-22-19-9-7-16(14-30)11-24(19)32-25-12-17(15-31)8-10-20(25)26(27(21)29)28(22)32/h3-13H,1-2H3
InChIKeyCXJHETGXDYDSHM-UHFFFAOYSA-N
MW407.48 g/mol
LogP6.89
Rot. Bonds

About 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile

17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile (PubChem CID 164528712) has the molecular formula C29H17N3 and a molecular weight of 407.48 g/mol. Its IUPAC name is 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile.

Molecular Properties

Compound Name17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile
PubChem CID164528712
Molecular FormulaC29H17N3
Molecular Weight407.48 g/mol
Exact Mass407.14
IUPAC Name17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(C#N)cc4n4c5cc(C#N)ccc5c(c21)c34
InChIInChI=1S/C29H17N3/c1-29(2)23-6-4-3-5-18(23)21-13-22-19-9-7-16(14-30)11-24(19)32-25-12-17(15-31)8-10-20(25)26(27(21)29)28(22)32/h3-13H,1-2H3
InChIKeyCXJHETGXDYDSHM-UHFFFAOYSA-N
XLogP6.89
TPSA51.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile 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

17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
CID 176726676
11,11,33-trimethyl-21,33-diazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2,4(12),5,7,9,13,15,17,19,22,24,26,28(32),29-pentadecaene
CID 157173756
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
17,17-dimethyl-5,8,11-triazaheptacyclo[13.11.1.02,7.08,27.09,14.016,25.018,23]heptacosa-1(26),2(7),3,5,9(14),10,12,15(27),16(25),18,20,22-dodecaen-24-one
CID 164527812
26,26-dimethyl-1-azaheptadecacyclo[33.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,58.025,33.027,32.036,57.038,55.039,46.039,53.040,45.047,52]octapentaconta-2,4(21),7,9,11,14,16,18,22,24(58),25(33),27,29,31,34,36,38(55),40,42,44,47,49,51,56-tetracosaene-5,54-dione
CID 167125452
3-phenyl-3,22-diazaoctacyclo[13.13.1.14,8.02,13.016,21.022,29.023,28.012,30]triaconta-1,4,6,8(30),9,11,13,15(29),16(21),17,19,23(28),24,26-tetradecaene-19,25-dicarbonitrile
CID 164528942
10,20-diazadecacyclo[18.13.2.13,10.02,19.04,9.011,16.021,26.027,35.030,34.017,36]hexatriaconta-1(33),2(19),3(36),4(9),5,7,11(16),12,14,17,21,23,25,27(35),28,30(34),31-heptadecaene-7,13-dicarbonitrile
CID 164528744
9-[3-(2-isocyano-12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140822973
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 90278208
11-phenyl-23-(3-phenylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),17(22),18,20-dodecaene-5,20-dicarbonitrile
CID 167153542
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543164
10-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-4,16-dicarbonitrile
CID 164529050

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile?
The IUPAC name of 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile (CID 164528712) is 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile.
What is the SMILES notation for 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile?
The canonical SMILES for 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4ccc(C#N)cc4n4c5cc(C#N)ccc5c(c21)c34.
What is the InChIKey of 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile?
The InChIKey is CXJHETGXDYDSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N3/c1-29(2)23-6-4-3-5-18(23)21-13-22-19-9-7-16(14-30)11-24(19)32-25-12-17(15-31)8-10-20(25)26(27(21)29)28(22)32/h3-13H,1-2H3.
What are the key properties of 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile?
17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile has a molecular weight of 407.48 g/mol, XLogP of 6.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile is sourced from PubChem (CID 164528712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).