4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C187H352N54O11 — CID 131632934

IUPAC4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCCN(c1nc(NCCCN(C)C)nc(NCCCN(CCCNc2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)nc(N(CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)n2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C187H352N54O11/c1-166(2)112-134(113-167(3,4)216-166)231(90-65-101-242-47)155-196-145(188-76-58-83-227(45)46)195-146(197-155)189-77-59-84-228(85-60-78-190-147-198-156(232(91-66-102-243-48)135-114-168(5,6)217-169(7,8)115-135)211-157(199-147)233(92-67-103-244-49)136-116-170(9,10)218-171(11,12)117-136)152-208-153(229(86-61-79-191-148-200-158(234(93-68-104-245-50)137-118-172(13,14)219-173(15,16)119-137)212-159(201-148)235(94-69-105-246-51)138-120-174(17,18)220-175(19,20)121-138)87-62-80-192-149-202-160(236(95-70-106-247-52)139-122-176(21,22)221-177(23,24)123-139)213-161(203-149)237(96-71-107-248-53)140-124-178(25,26)222-179(27,28)125-140)210-154(209-152)230(88-63-81-193-150-204-162(238(97-72-108-249-54)141-126-180(29,30)223-181(31,32)127-141)214-163(205-150)239(98-73-109-250-55)142-128-182(33,34)224-183(35,36)129-142)89-64-82-194-151-206-164(240(99-74-110-251-56)143-130-184(37,38)225-185(39,40)131-143)215-165(207-151)241(100-75-111-252-57)144-132-186(41,42)226-187(43,44)133-144/h134-144,216-226H,58-133H2,1-57H3,(H,190,198,199,211)(H,191,200,201,212)(H,192,202,203,213)(H,193,204,205,214)(H,194,206,207,215)(H2,188,189,195,196,197)
InChIKeyWHFHVPWXKQLUGY-UHFFFAOYSA-N
MW3533.24 g/mol
LogP24.45
Rot. Bonds104

About 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 131632934) has the molecular formula C187H352N54O11 and a molecular weight of 3533.24 g/mol. Its IUPAC name is 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID131632934
Molecular FormulaC187H352N54O11
Molecular Weight3533.24 g/mol
Exact Mass3530.86
IUPAC Name4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCCN(c1nc(NCCCN(C)C)nc(NCCCN(CCCNc2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)nc(N(CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)n2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C187H352N54O11/c1-166(2)112-134(113-167(3,4)216-166)231(90-65-101-242-47)155-196-145(188-76-58-83-227(45)46)195-146(197-155)189-77-59-84-228(85-60-78-190-147-198-156(232(91-66-102-243-48)135-114-168(5,6)217-169(7,8)115-135)211-157(199-147)233(92-67-103-244-49)136-116-170(9,10)218-171(11,12)117-136)152-208-153(229(86-61-79-191-148-200-158(234(93-68-104-245-50)137-118-172(13,14)219-173(15,16)119-137)212-159(201-148)235(94-69-105-246-51)138-120-174(17,18)220-175(19,20)121-138)87-62-80-192-149-202-160(236(95-70-106-247-52)139-122-176(21,22)221-177(23,24)123-139)213-161(203-149)237(96-71-107-248-53)140-124-178(25,26)222-179(27,28)125-140)210-154(209-152)230(88-63-81-193-150-204-162(238(97-72-108-249-54)141-126-180(29,30)223-181(31,32)127-141)214-163(205-150)239(98-73-109-250-55)142-128-182(33,34)224-183(35,36)129-142)89-64-82-194-151-206-164(240(99-74-110-251-56)143-130-184(37,38)225-185(39,40)131-143)215-165(207-151)241(100-75-111-252-57)144-132-186(41,42)226-187(43,44)133-144/h134-144,216-226H,58-133H2,1-57H3,(H,190,198,199,211)(H,191,200,201,212)(H,192,202,203,213)(H,193,204,205,214)(H,194,206,207,215)(H2,188,189,195,196,197)
InChIKeyWHFHVPWXKQLUGY-UHFFFAOYSA-N
XLogP24.45
TPSA637.36 Ų
H-Bond Donors18
H-Bond Acceptors65
Rotatable Bonds104
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003533.24
LogP ≤ 524.45
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

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

Analyze 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 131632934) is 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is COCCCN(c1nc(NCCCN(C)C)nc(NCCCN(CCCNc2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)nc(N(CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)CCCNc3nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)nc(N(CCCOC)C4CC(C)(C)NC(C)(C)C4)n3)n2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WHFHVPWXKQLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C187H352N54O11/c1-166(2)112-134(113-167(3,4)216-166)231(90-65-101-242-47)155-196-145(188-76-58-83-227(45)46)195-146(197-155)189-77-59-84-228(85-60-78-190-147-198-156(232(91-66-102-243-48)135-114-168(5,6)217-169(7,8)115-135)211-157(199-147)233(92-67-103-244-49)136-116-170(9,10)218-171(11,12)117-136)152-208-153(229(86-61-79-191-148-200-158(234(93-68-104-245-50)137-118-172(13,14)219-173(15,16)119-137)212-159(201-148)235(94-69-105-246-51)138-120-174(17,18)220-175(19,20)121-138)87-62-80-192-149-202-160(236(95-70-106-247-52)139-122-176(21,22)221-177(23,24)123-139)213-161(203-149)237(96-71-107-248-53)140-124-178(25,26)222-179(27,28)125-140)210-154(209-152)230(88-63-81-193-150-204-162(238(97-72-108-249-54)141-126-180(29,30)223-181(31,32)127-141)214-163(205-150)239(98-73-109-250-55)142-128-182(33,34)224-183(35,36)129-142)89-64-82-194-151-206-164(240(99-74-110-251-56)143-130-184(37,38)225-185(39,40)131-143)215-165(207-151)241(100-75-111-252-57)144-132-186(41,42)226-187(43,44)133-144/h134-144,216-226H,58-133H2,1-57H3,(H,190,198,199,211)(H,191,200,201,212)(H,192,202,203,213)(H,193,204,205,214)(H,194,206,207,215)(H2,188,189,195,196,197).
What are the key properties of 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 3533.24 g/mol, XLogP of 24.45, 104 rotatable bonds, 18 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[[4,6-bis[bis[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-6-N-[3-(dimethylamino)propyl]-2-N-(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 131632934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).