32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene

C72H58N2 — CID 170211202

About 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene

32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene (PubChem CID 170211202) has the molecular formula C72H58N2 and a molecular weight of 951.27 g/mol. Its IUPAC name is 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene.

Molecular Properties

• Compound Name: 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene
• PubChem CID: 170211202
• Molecular Formula: C72H58N2
• Molecular Weight: 951.27 g/mol
• Exact Mass: 950.46
• IUPAC Name: 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cc(C(C)(C)C)cc2c3cc4c(cc3n5c21)-c1ccccc1-c1ccccc1-c1ccccc1-4
• InChI: InChI=1S/C72H58N2/c1-70(2,3)43-32-33-60-54(34-43)56-35-44(71(4,5)6)37-58-64-63(42-24-14-11-15-25-42)69-65(62(41-22-12-10-13-23-41)68(64)73(60)66(56)58)59-38-45(72(7,8)9)36-57-55-39-52-50-30-20-18-28-48(50)46-26-16-17-27-47(46)49-29-19-21-31-51(49)53(52)40-61(55)74(69)67(57)59/h10-40H,1-9H3/b48-46-,49-47-,52-50-,53-51-
• InChIKey: KGPILVILVSWHPU-UVTXTBFXSA-N
• XLogP: 20.19
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.27
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene?

The IUPAC name of 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene (CID 170211202) is 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene.

What is the SMILES notation for 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene?

The canonical SMILES for 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cc(C(C)(C)C)cc2c3cc4c(cc3n5c21)-c1ccccc1-c1ccccc1-c1ccccc1-4.

What is the InChIKey of 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene?

The InChIKey is KGPILVILVSWHPU-UVTXTBFXSA-N. The full InChI is InChI=1S/C72H58N2/c1-70(2,3)43-32-33-60-54(34-43)56-35-44(71(4,5)6)37-58-64-63(42-24-14-11-15-25-42)69-65(62(41-22-12-10-13-23-41)68(64)73(60)66(56)58)59-38-45(72(7,8)9)36-57-55-39-52-50-30-20-18-28-48(50)46-26-16-17-27-47(46)49-29-19-21-31-51(49)53(52)40-61(55)74(69)67(57)59/h10-40H,1-9H3/b48-46-,49-47-,52-50-,53-51-.

What are the key properties of 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene?

32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene has a molecular weight of 951.27 g/mol, XLogP of 20.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene is sourced from PubChem (CID 170211202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).