19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene

C68H58N8 — CID 137125356

IUPAC19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4[nH]c(c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6ccc2[nH]6)C=C5)c2nc5c(nc42)-c2cccc(n2)-c2cccc-5n2)C=C3)c(C)c1
InChIInChI=1S/C68H58N8/c1-33-25-37(5)55(38(6)26-33)59-47-19-20-48(71-47)60(56-39(7)27-34(2)28-40(56)8)50-22-24-52(73-50)62(58-43(11)31-36(4)32-44(58)12)66-68-67(74-63-53-17-13-15-45(69-53)46-16-14-18-54(70-46)64(63)75-68)65(76-66)61(51-23-21-49(59)72-51)57-41(9)29-35(3)30-42(57)10/h13-32,71,76H,1-12H3/b59-47+,59-49+,60-48+,60-50+,61-51-,62-52-,65-61-,66-62-
InChIKeyGGLNNOGJRIXUNB-XRWHXMNSSA-N
MW987.27 g/mol
LogP17.07
Rot. Bonds4

About 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene

19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene (PubChem CID 137125356) has the molecular formula C68H58N8 and a molecular weight of 987.27 g/mol. Its IUPAC name is 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene.

Molecular Properties

Compound Name19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
PubChem CID137125356
Molecular FormulaC68H58N8
Molecular Weight987.27 g/mol
Exact Mass986.48
IUPAC Name19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4[nH]c(c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6ccc2[nH]6)C=C5)c2nc5c(nc42)-c2cccc(n2)-c2cccc-5n2)C=C3)c(C)c1
InChIInChI=1S/C68H58N8/c1-33-25-37(5)55(38(6)26-33)59-47-19-20-48(71-47)60(56-39(7)27-34(2)28-40(56)8)50-22-24-52(73-50)62(58-43(11)31-36(4)32-44(58)12)66-68-67(74-63-53-17-13-15-45(69-53)46-16-14-18-54(70-46)64(63)75-68)65(76-66)61(51-23-21-49(59)72-51)57-41(9)29-35(3)30-42(57)10/h13-32,71,76H,1-12H3/b59-47+,59-49+,60-48+,60-50+,61-51-,62-52-,65-61-,66-62-
InChIKeyGGLNNOGJRIXUNB-XRWHXMNSSA-N
XLogP17.07
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.27
LogP ≤ 517.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene with MolForge

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Related Compounds

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11,12-diphenyl-6,17-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrazapentacyclo[16.2.1.12,5.17,10.113,16]tetracosa-1,3,5,7(23),8,10,12,14,16,18(21),19-undecaene
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3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
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2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
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10,15,24,29-tetrakis(2,4,6-trimethylphenyl)-34,37-dithia-33,35,36,38,39-pentazaoctacyclo[28.2.1.12,5.16,9.111,14.116,19.120,23.125,28]nonatriaconta-1(32),2(39),3,5,7,9,11,13,15,17,19,21,23(35),24,26,28,30-heptadecaene
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Frequently Asked Questions

What is the IUPAC name of 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene?
The IUPAC name of 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene (CID 137125356) is 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene.
What is the SMILES notation for 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene?
The canonical SMILES for 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene is Cc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4[nH]c(c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6ccc2[nH]6)C=C5)c2nc5c(nc42)-c2cccc(n2)-c2cccc-5n2)C=C3)c(C)c1.
What is the InChIKey of 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene?
The InChIKey is GGLNNOGJRIXUNB-XRWHXMNSSA-N. The full InChI is InChI=1S/C68H58N8/c1-33-25-37(5)55(38(6)26-33)59-47-19-20-48(71-47)60(56-39(7)27-34(2)28-40(56)8)50-22-24-52(73-50)62(58-43(11)31-36(4)32-44(58)12)66-68-67(74-63-53-17-13-15-45(69-53)46-16-14-18-54(70-46)64(63)75-68)65(76-66)61(51-23-21-49(59)72-51)57-41(9)29-35(3)30-42(57)10/h13-32,71,76H,1-12H3/b59-47+,59-49+,60-48+,60-50+,61-51-,62-52-,65-61-,66-62-.
What are the key properties of 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene?
19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene has a molecular weight of 987.27 g/mol, XLogP of 17.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene is sourced from PubChem (CID 137125356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).