1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene

C28H26N6 — CID 146532100

IUPAC1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene
SMILESCN1C=CN2c3ccccc3C3=C(C12)C1(C)C2N(C)c4cncnc4N2c2ccccc2C31C
InChIInChI=1S/C28H26N6/c1-27-18-10-6-8-12-20(18)34-24-21(15-29-16-30-24)32(4)26(34)28(27,2)23-22(27)17-9-5-7-11-19(17)33-14-13-31(3)25(23)33/h5-16,25-26H,1-4H3
InChIKeyGRFJHVMFMBGBCB-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.70
Rot. Bonds

About 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene

1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene (PubChem CID 146532100) has the molecular formula C28H26N6 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene.

Molecular Properties

Compound Name1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene
PubChem CID146532100
Molecular FormulaC28H26N6
Molecular Weight446.56 g/mol
Exact Mass446.22
IUPAC Name1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene
SMILESCN1C=CN2c3ccccc3C3=C(C12)C1(C)C2N(C)c4cncnc4N2c2ccccc2C31C
InChIInChI=1S/C28H26N6/c1-27-18-10-6-8-12-20(18)34-24-21(15-29-16-30-24)32(4)26(34)28(27,2)23-22(27)17-9-5-7-11-19(17)33-14-13-31(3)25(23)33/h5-16,25-26H,1-4H3
InChIKeyGRFJHVMFMBGBCB-UHFFFAOYSA-N
XLogP4.70
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene with MolForge

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Related Compounds

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36,36-diethyl-18,22-dimethyl-12-oxa-15,18,22,25,27,29-hexazanonacyclo[18.16.0.02,14.05,13.06,11.015,19.021,29.023,28.030,35]hexatriaconta-1(20),2(14),3,5(13),6,8,10,16,23,25,27,30,32,34-tetradecaene
CID 123393908
2,5-dimethyl-19-pyridin-4-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-3,6,8,10,13,15,17-heptaene
CID 134316781
2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene
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CID 134386237
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CID 126760112
8-[[2-(7,8-dimethyl-8H-purin-9-yl)phenyl]methyl]-9,9-diethyl-6-methyl-20-oxa-3,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),4,11,14,16,18-heptaene
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1,2,4-trimethyl-2-[1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-yl]-4,6,8,11-tetrazapentacyclo[13.2.1.03,11.05,10.012,17]octadeca-5,7,9,12(17),13,15-hexaene
CID 167042896
7,8-dimethyl-9-(3-methylpyrazin-2-yl)-8H-purine
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10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
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20,22-dimethyl-17-phenyl-10,17,22,24,26,29-hexazadecacyclo[31.2.1.02,20.03,19.04,9.010,18.011,16.021,29.023,28.030,35]hexatriaconta-3(19),4,6,8,11,13,15,23,25,27,30(35),31,33-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene?
The IUPAC name of 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene (CID 146532100) is 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene.
What is the SMILES notation for 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene?
The canonical SMILES for 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene is CN1C=CN2c3ccccc3C3=C(C12)C1(C)C2N(C)c4cncnc4N2c2ccccc2C31C.
What is the InChIKey of 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene?
The InChIKey is GRFJHVMFMBGBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6/c1-27-18-10-6-8-12-20(18)34-24-21(15-29-16-30-24)32(4)26(34)28(27,2)23-22(27)17-9-5-7-11-19(17)33-14-13-31(3)25(23)33/h5-16,25-26H,1-4H3.
What are the key properties of 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene?
1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene has a molecular weight of 446.56 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene is sourced from PubChem (CID 146532100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).