2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine

C108H134N24O8 — CID 177462257

About 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine

2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 177462257) has the molecular formula C108H134N24O8 and a molecular weight of 1896.42 g/mol. Its IUPAC name is 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 177462257
• Molecular Formula: C108H134N24O8
• Molecular Weight: 1896.42 g/mol
• Exact Mass: 1895.08
• IUPAC Name: 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCNc1nc(N)nc(Nc2cc3c(OCCC)c(c2)Cc2cccc(c2OCCC)Cc2cc(Nc4nc(N)nc(NCc5cccc(CNc6nc(N)nc(Nc7cc8c(OCCC)c(c7)Cc7cccc(c7OCCC)Cc7cc(Nc9nc(N)nc(NCCCC)n9)cc(c7OCCC)Cc7cccc(c7OCCC)C8)n6)c5)n4)cc(c2OCCC)Cc2cccc(c2OCCC)C3)n1
• InChI: InChI=1S/C108H134N24O8/c1-11-21-38-113-101-121-97(109)125-105(129-101)117-85-57-77-49-69-30-24-34-73(89(69)133-40-13-3)53-81-61-87(62-82(95(81)139-46-19-9)54-74-35-25-31-70(90(74)134-41-14-4)50-78(58-85)93(77)137-44-17-7)119-107-127-99(111)123-103(131-107)115-65-67-28-23-29-68(48-67)66-116-104-124-100(112)128-108(132-104)120-88-63-83-55-75-36-26-32-71(91(75)135-42-15-5)51-79-59-86(118-106-126-98(110)122-102(130-106)114-39-22-12-2)60-80(94(79)138-45-18-8)52-72-33-27-37-76(92(72)136-43-16-6)56-84(64-88)96(83)140-47-20-10/h23-37,48,57-64H,11-22,38-47,49-56,65-66H2,1-10H3,(H4,109,113,117,121,125,129)(H4,110,114,118,122,126,130)(H4,111,115,119,123,127,131)(H4,112,116,120,124,128,132)
• InChIKey: MVWZQSULFRIOPX-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 428.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1896.42
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine (CID 177462257) is 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(N)nc(Nc2cc3c(OCCC)c(c2)Cc2cccc(c2OCCC)Cc2cc(Nc4nc(N)nc(NCc5cccc(CNc6nc(N)nc(Nc7cc8c(OCCC)c(c7)Cc7cccc(c7OCCC)Cc7cc(Nc9nc(N)nc(NCCCC)n9)cc(c7OCCC)Cc7cccc(c7OCCC)C8)n6)c5)n4)cc(c2OCCC)Cc2cccc(c2OCCC)C3)n1.

What is the InChIKey of 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is MVWZQSULFRIOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H134N24O8/c1-11-21-38-113-101-121-97(109)125-105(129-101)117-85-57-77-49-69-30-24-34-73(89(69)133-40-13-3)53-81-61-87(62-82(95(81)139-46-19-9)54-74-35-25-31-70(90(74)134-41-14-4)50-78(58-85)93(77)137-44-17-7)119-107-127-99(111)123-103(131-107)115-65-67-28-23-29-68(48-67)66-116-104-124-100(112)128-108(132-104)120-88-63-83-55-75-36-26-32-71(91(75)135-42-15-5)51-79-59-86(118-106-126-98(110)122-102(130-106)114-39-22-12-2)60-80(94(79)138-45-18-8)52-72-33-27-37-76(92(72)136-43-16-6)56-84(64-88)96(83)140-47-20-10/h23-37,48,57-64H,11-22,38-47,49-56,65-66H2,1-10H3,(H4,109,113,117,121,125,129)(H4,110,114,118,122,126,130)(H4,111,115,119,123,127,131)(H4,112,116,120,124,128,132).

What are the key properties of 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine?

2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1896.42 g/mol, XLogP of 21.04, 46 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[17-[[4-amino-6-[[3-[[[4-amino-6-[[17-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-4-N-butyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 177462257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).