CID 59482546

C62H110N18O6 — CID 59482546

IUPAC—
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)N([O])C(C)(C)C4)nc(NC4CC(C)(C)N([O])C(C)(C)C4)n3)C3CC(C)(C)N([O])C(C)(C)C3)C3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C62H110N18O6/c1-51(2)27-39(28-52(3,4)75(51)81)63-45-67-46(64-40-29-53(5,6)76(82)54(7,8)30-40)70-49(69-45)73(43-35-59(17,18)79(85)60(19,20)36-43)25-26-74(44-37-61(21,22)80(86)62(23,24)38-44)50-71-47(65-41-31-55(9,10)77(83)56(11,12)32-41)68-48(72-50)66-42-33-57(13,14)78(84)58(15,16)34-42/h39-44H,25-38H2,1-24H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72)
InChIKeyDSKQYEOZPCQWCP-UHFFFAOYSA-N
MW1203.68 g/mol
LogP10.22
Rot. Bonds15

About CID 59482546

CID 59482546 (PubChem CID 59482546) has the molecular formula C62H110N18O6 and a molecular weight of 1203.68 g/mol.

Molecular Properties

Compound NameCID 59482546
PubChem CID59482546
Molecular FormulaC62H110N18O6
Molecular Weight1203.68 g/mol
Exact Mass1202.89
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)N([O])C(C)(C)C4)nc(NC4CC(C)(C)N([O])C(C)(C)C4)n3)C3CC(C)(C)N([O])C(C)(C)C3)C3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C62H110N18O6/c1-51(2)27-39(28-52(3,4)75(51)81)63-45-67-46(64-40-29-53(5,6)76(82)54(7,8)30-40)70-49(69-45)73(43-35-59(17,18)79(85)60(19,20)36-43)25-26-74(44-37-61(21,22)80(86)62(23,24)38-44)50-71-47(65-41-31-55(9,10)77(83)56(11,12)32-41)68-48(72-50)66-42-33-57(13,14)78(84)58(15,16)34-42/h39-44H,25-38H2,1-24H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72)
InChIKeyDSKQYEOZPCQWCP-UHFFFAOYSA-N
XLogP10.22
TPSA270.78 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.68
LogP ≤ 510.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

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Related Compounds

CID 59482472
CID 59482472
[4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163959645
CID 59482393
CID 59482393
CID 59482396
CID 59482396
2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 23464884
CID 59482340
CID 59482340
CID 59482524
CID 59482524
CID 59482459
CID 59482459
6-N-cyclohexyl-2-N-hexyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 143681738
6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 91080942
CID 59482500
CID 59482500
2-N,4-N-dibutyl-6-N-ethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 59247834

Frequently Asked Questions

What is the IUPAC name of CID 59482546?
The IUPAC name of CID 59482546 (CID 59482546) is not available.
What is the SMILES notation for CID 59482546?
The canonical SMILES for CID 59482546 is CC1(C)CC(Nc2nc(NC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)N([O])C(C)(C)C4)nc(NC4CC(C)(C)N([O])C(C)(C)C4)n3)C3CC(C)(C)N([O])C(C)(C)C3)C3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482546?
The InChIKey is DSKQYEOZPCQWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H110N18O6/c1-51(2)27-39(28-52(3,4)75(51)81)63-45-67-46(64-40-29-53(5,6)76(82)54(7,8)30-40)70-49(69-45)73(43-35-59(17,18)79(85)60(19,20)36-43)25-26-74(44-37-61(21,22)80(86)62(23,24)38-44)50-71-47(65-41-31-55(9,10)77(83)56(11,12)32-41)68-48(72-50)66-42-33-57(13,14)78(84)58(15,16)34-42/h39-44H,25-38H2,1-24H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72).
What are the key properties of CID 59482546?
CID 59482546 has a molecular weight of 1203.68 g/mol, XLogP of 10.22, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482546 is sourced from PubChem (CID 59482546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).