3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene

C24H30N6 — CID 12068296

IUPAC3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene
SMILESC1=N\CCNCC/N=C\c2cccc(c2)/C=N/CCNCC/N=C/c2cccc/1c2
InChIInChI=1S/C24H30N6/c1-3-21-15-22(4-1)18-28-12-8-26-10-14-30-20-24-6-2-5-23(16-24)19-29-13-9-25-7-11-27-17-21/h1-6,15-20,25-26H,7-14H2/b27-17-,28-18+,29-19-,30-20+
InChIKeyRHXCKCZZOGQPMR-YCJBCEEDSA-N
MW402.55 g/mol
LogP2.26
Rot. Bonds

About 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene

3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene (PubChem CID 12068296) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene.

Molecular Properties

Compound Name3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene
PubChem CID12068296
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene
SMILESC1=N\CCNCC/N=C\c2cccc(c2)/C=N/CCNCC/N=C/c2cccc/1c2
InChIInChI=1S/C24H30N6/c1-3-21-15-22(4-1)18-28-12-8-26-10-14-30-20-24-6-2-5-23(16-24)19-29-13-9-25-7-11-27-17-21/h1-6,15-20,25-26H,7-14H2/b27-17-,28-18+,29-19-,30-20+
InChIKeyRHXCKCZZOGQPMR-YCJBCEEDSA-N
XLogP2.26
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene with MolForge

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Related Compounds

(2R,16S)-3,6,9,17,20,23-hexazapentacyclo[23.3.1.111,15.02,6.016,20]triaconta-1(28),9,11(30),12,14,23,25(29),26-octaene
CID 139060986
2,3,8,9-tetrahydro-1H-1,4,7-triazonine
CID 56993385
disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate
CID 139155678
13,27-dimethyl-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),2,9,11,13,15(30),16,23,25(29),26-decaene-29,30-dithiol
CID 136903434
2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene
CID 122205101
17,35-dimethyl-3,6,10,13,21,24,28,31-octazatricyclo[31.3.1.115,19]octatriaconta-1(36),2,13,15,17,19(38),20,31,33(37),34-decaene-8,26,37,38-tetrol
CID 139198280
2,5,8,11-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 45118125
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CID 91123464
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CID 150892057
bis(2,13-dimethyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene);manganese(2+);dichloride
CID 67667818
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Frequently Asked Questions

What is the IUPAC name of 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene?
The IUPAC name of 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene (CID 12068296) is 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene.
What is the SMILES notation for 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene?
The canonical SMILES for 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene is C1=N\CCNCC/N=C\c2cccc(c2)/C=N/CCNCC/N=C/c2cccc/1c2.
What is the InChIKey of 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene?
The InChIKey is RHXCKCZZOGQPMR-YCJBCEEDSA-N. The full InChI is InChI=1S/C24H30N6/c1-3-21-15-22(4-1)18-28-12-8-26-10-14-30-20-24-6-2-5-23(16-24)19-29-13-9-25-7-11-27-17-21/h1-6,15-20,25-26H,7-14H2/b27-17-,28-18+,29-19-,30-20+.
What are the key properties of 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene?
3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene has a molecular weight of 402.55 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene is sourced from PubChem (CID 12068296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).