6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

C56H34N8 — CID 25078168

IUPAC6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
SMILESc1ccc(-c2ccc3c(c2)-c2nc4nc(nc5[nH]c(nc6[nH]c(nc-3n2)c2cc(-c3ccccc3)ccc62)c2cc(-c3ccccc3)ccc52)-c2cc(-c3ccccc3)ccc2-4)cc1
InChIInChI=1S/C56H34N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H,(H2,57,58,59,60,61,62,63,64)
InChIKeySXNLZNGQJWKPAM-UHFFFAOYSA-N
MW818.94 g/mol
LogP13.54
Rot. Bonds4

About 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene (PubChem CID 25078168) has the molecular formula C56H34N8 and a molecular weight of 818.94 g/mol. Its IUPAC name is 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene.

Molecular Properties

Compound Name6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
PubChem CID25078168
Molecular FormulaC56H34N8
Molecular Weight818.94 g/mol
Exact Mass818.29
IUPAC Name6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
SMILESc1ccc(-c2ccc3c(c2)-c2nc4nc(nc5[nH]c(nc6[nH]c(nc-3n2)c2cc(-c3ccccc3)ccc62)c2cc(-c3ccccc3)ccc52)-c2cc(-c3ccccc3)ccc2-4)cc1
InChIInChI=1S/C56H34N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H,(H2,57,58,59,60,61,62,63,64)
InChIKeySXNLZNGQJWKPAM-UHFFFAOYSA-N
XLogP13.54
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 513.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene with MolForge

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Related Compounds

Phthalocyanine
CID 86280045
Nickel phthalocyanine
CID 73295
Copper phthalocyanine
CID 6531516
Zinc Phthalocyanine
CID 114933
Cobalt phthalocyanine
CID 76829
Manganese phthalocyanine
CID 6508743
Manganese, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-
CID 135702311
Iron(II) phthalocyanine
CID 123025
Copper monochlorophthalocyanine
CID 138394853
Titanium, oxo(29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-5-12)-
CID 168494
Aluminum, chloro(29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-5-12)-
CID 123667
Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium
CID 161002

Frequently Asked Questions

What is the IUPAC name of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
The IUPAC name of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene (CID 25078168) is 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene.
What is the SMILES notation for 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
The canonical SMILES for 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is c1ccc(-c2ccc3c(c2)-c2nc4nc(nc5[nH]c(nc6[nH]c(nc-3n2)c2cc(-c3ccccc3)ccc62)c2cc(-c3ccccc3)ccc52)-c2cc(-c3ccccc3)ccc2-4)cc1.
What is the InChIKey of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
The InChIKey is SXNLZNGQJWKPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H,(H2,57,58,59,60,61,62,63,64).
What are the key properties of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene has a molecular weight of 818.94 g/mol, XLogP of 13.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is sourced from PubChem (CID 25078168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).