CID 59482472

C62H108N16O8 — CID 59482472

IUPAC—
SMILESCC1(C)CC(Nc2nc(OC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)N([O])C(C)(C)C4)nc(OC4CC(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/C62H108N16O8/c1-51(2)27-39(28-52(3,4)73(51)79)63-45-65-47(69-49(67-45)85-43-35-59(17,18)77(83)60(19,20)36-43)71(41-31-55(9,10)75(81)56(11,12)32-41)25-26-72(42-33-57(13,14)76(82)58(15,16)34-42)48-66-46(64-40-29-53(5,6)74(80)54(7,8)30-40)68-50(70-48)86-44-37-61(21,22)78(84)62(23,24)38-44/h39-44H,25-38H2,1-24H3,(H,63,65,67,69)(H,64,66,68,70)
InChIKeyIKWCHTFOHGIDPE-UHFFFAOYSA-N
MW1205.65 g/mol
LogP10.15
Rot. Bonds15

About CID 59482472

CID 59482472 (PubChem CID 59482472) has the molecular formula C62H108N16O8 and a molecular weight of 1205.65 g/mol.

Molecular Properties

Compound NameCID 59482472
PubChem CID59482472
Molecular FormulaC62H108N16O8
Molecular Weight1205.65 g/mol
Exact Mass1204.85
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(OC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)N([O])C(C)(C)C4)nc(OC4CC(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/C62H108N16O8/c1-51(2)27-39(28-52(3,4)73(51)79)63-45-65-47(69-49(67-45)85-43-35-59(17,18)77(83)60(19,20)36-43)71(41-31-55(9,10)75(81)56(11,12)32-41)25-26-72(42-33-57(13,14)76(82)58(15,16)34-42)48-66-46(64-40-29-53(5,6)74(80)54(7,8)30-40)68-50(70-48)86-44-37-61(21,22)78(84)62(23,24)38-44/h39-44H,25-38H2,1-24H3,(H,63,65,67,69)(H,64,66,68,70)
InChIKeyIKWCHTFOHGIDPE-UHFFFAOYSA-N
XLogP10.15
TPSA265.18 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.65
LogP ≤ 510.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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Related Compounds

CID 59482546
CID 59482546
CID 59482459
CID 59482459
CID 59482500
CID 59482500
[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 59482396
CID 59482396
4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 54254693
CID 59482393
CID 59482393
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
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 91807159
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-6-[(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)oxy]-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 91369181
CID 59482503
CID 59482503
CID 59482340
CID 59482340

Frequently Asked Questions

What is the IUPAC name of CID 59482472?
The IUPAC name of CID 59482472 (CID 59482472) is not available.
What is the SMILES notation for CID 59482472?
The canonical SMILES for CID 59482472 is CC1(C)CC(Nc2nc(OC3CC(C)(C)N([O])C(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)N([O])C(C)(C)C4)nc(OC4CC(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 59482472?
The InChIKey is IKWCHTFOHGIDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H108N16O8/c1-51(2)27-39(28-52(3,4)73(51)79)63-45-65-47(69-49(67-45)85-43-35-59(17,18)77(83)60(19,20)36-43)71(41-31-55(9,10)75(81)56(11,12)32-41)25-26-72(42-33-57(13,14)76(82)58(15,16)34-42)48-66-46(64-40-29-53(5,6)74(80)54(7,8)30-40)68-50(70-48)86-44-37-61(21,22)78(84)62(23,24)38-44/h39-44H,25-38H2,1-24H3,(H,63,65,67,69)(H,64,66,68,70).
What are the key properties of CID 59482472?
CID 59482472 has a molecular weight of 1205.65 g/mol, XLogP of 10.15, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482472 is sourced from PubChem (CID 59482472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).