6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C32H26N12+4 — CID 135886408

IUPAC6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILESC[n+]1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc[n+](C)cc41)-c1cc[n+](C)cc1-3)c1cc[n+](C)cc21
InChIInChI=1S/C32H25N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1
InChIKeyOUGPSUQVOLNRJO-UHFFFAOYSA-O
MW578.64 g/mol
LogP2.17
Rot. Bonds

About 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 135886408) has the molecular formula C32H26N12+4 and a molecular weight of 578.64 g/mol. Its IUPAC name is 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

Compound Name6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
PubChem CID135886408
Molecular FormulaC32H26N12+4
Molecular Weight578.64 g/mol
Exact Mass578.24
IUPAC Name6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILESC[n+]1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc[n+](C)cc41)-c1cc[n+](C)cc1-3)c1cc[n+](C)cc21
InChIInChI=1S/C32H25N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1
InChIKeyOUGPSUQVOLNRJO-UHFFFAOYSA-O
XLogP2.17
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene with MolForge

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Related Compounds

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4-ethyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25165369
4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
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4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
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5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
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3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
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4-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-5-carbonitrile
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4-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidine-5-carbonitrile
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N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
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N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 166629499
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CID 166632790

Frequently Asked Questions

What is the IUPAC name of 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The IUPAC name of 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 135886408) is 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.
What is the SMILES notation for 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The canonical SMILES for 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is C[n+]1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc[n+](C)cc41)-c1cc[n+](C)cc1-3)c1cc[n+](C)cc21.
What is the InChIKey of 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The InChIKey is OUGPSUQVOLNRJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H25N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1.
What are the key properties of 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 578.64 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24,33-tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 135886408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).