14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine

C88H60N6 — CID 155221625

About 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine

14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine (PubChem CID 155221625) has the molecular formula C88H60N6 and a molecular weight of 1201.49 g/mol. Its IUPAC name is 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine.

Molecular Properties

• Compound Name: 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
• PubChem CID: 155221625
• Molecular Formula: C88H60N6
• Molecular Weight: 1201.49 g/mol
• Exact Mass: 1200.49
• IUPAC Name: 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
• SMILES: CC(C)(C)c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n3c4cc5c(cc4c(c1)c23)c1cc(-c2cccc(N(c3ccccc3)c3cccc4c3c3cccc6c7c(N(c8ccccc8)c8ccccc8)cccc7n4c63)c2)ccc1n5-c1ccccc1
• InChI: InChI=1S/C88H60N6/c1-88(2,3)57-49-72-70-51-68-64-37-19-20-40-74(64)91(61-32-15-7-16-33-61)80(68)53-82(70)94-83-54-81-69(52-71(83)73(50-57)87(72)94)67-48-56(45-46-75(67)92(81)62-34-17-8-18-35-62)55-25-21-36-63(47-55)90(60-30-13-6-14-31-60)77-42-24-44-79-85(77)66-39-22-38-65-84-76(41-23-43-78(84)93(79)86(65)66)89(58-26-9-4-10-27-58)59-28-11-5-12-29-59/h4-54H,1-3H3
• InChIKey: PNKDEJGHOOXAJL-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 25.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.49
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?

The IUPAC name of 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine (CID 155221625) is 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine.

What is the SMILES notation for 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?

The canonical SMILES for 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine is CC(C)(C)c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n3c4cc5c(cc4c(c1)c23)c1cc(-c2cccc(N(c3ccccc3)c3cccc4c3c3cccc6c7c(N(c8ccccc8)c8ccccc8)cccc7n4c63)c2)ccc1n5-c1ccccc1.

What is the InChIKey of 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?

The InChIKey is PNKDEJGHOOXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H60N6/c1-88(2,3)57-49-72-70-51-68-64-37-19-20-40-74(64)91(61-32-15-7-16-33-61)80(68)53-82(70)94-83-54-81-69(52-71(83)73(50-57)87(72)94)67-48-56(45-46-75(67)92(81)62-34-17-8-18-35-62)55-25-21-36-63(47-55)90(60-30-13-6-14-31-60)77-42-24-44-79-85(77)66-39-22-38-65-84-76(41-23-43-78(84)93(79)86(65)66)89(58-26-9-4-10-27-58)59-28-11-5-12-29-59/h4-54H,1-3H3.

What are the key properties of 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?

14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine has a molecular weight of 1201.49 g/mol, XLogP of 24.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine is sourced from PubChem (CID 155221625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).