2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine

C195H336N18O18P18 — CID 164950213

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESO=P(CN(CP(=O)(C1CC1)C1CC1)c1nc(N(CP(=O)(C2CC2)C2CC2)CP(=O)(C2CC2)C2CC2)nc(N(CP(=O)(C2CC2)C2CC2)CP(=O)(C2CC2)C2CC2)n1)(C1CC1)C1CC1.O=P(CN(CP(=O)(C1CCC1)C1CCC1)c1nc(N(CP(=O)(C2CCC2)C2CCC2)CP(=O)(C2CCC2)C2CCC2)nc(N(CP(=O)(C2CCC2)C2CCC2)CP(=O)(C2CCC2)C2CCC2)n1)(C1CCC1)C1CCC1.O=P(CN(CP(=O)(C1CCCCCC1)C1CCCCCC1)c1nc(N(CP(=O)(C2CCCCCC2)C2CCCCCC2)CP(=O)(C2CCCCCC2)C2CCCCCC2)nc(N(CP(=O)(C2CCCCCC2)C2CCCCCC2)CP(=O)(C2CCCCCC2)C2CCCCCC2)n1)(C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C93H168N6O6P6.C57H96N6O6P6.C45H72N6O6P6/c100-106(79-49-25-1-2-26-50-79,80-51-27-3-4-28-52-80)73-97(74-107(101,81-53-29-5-6-30-54-81)82-55-31-7-8-32-56-82)91-94-92(98(75-108(102,83-57-33-9-10-34-58-83)84-59-35-11-12-36-60-84)76-109(103,85-61-37-13-14-38-62-85)86-63-39-15-16-40-64-86)96-93(95-91)99(77-110(104,87-65-41-17-18-42-66-87)88-67-43-19-20-44-68-88)78-111(105,89-69-45-21-22-46-70-89)90-71-47-23-24-48-72-90;64-70(43-13-1-14-43,44-15-2-16-44)37-61(38-71(65,45-17-3-18-45)46-19-4-20-46)55-58-56(62(39-72(66,47-21-5-22-47)48-23-6-24-48)40-73(67,49-25-7-26-49)50-27-8-28-50)60-57(59-55)63(41-74(68,51-29-9-30-51)52-31-10-32-52)42-75(69,53-33-11-34-53)54-35-12-36-54;52-58(31-1-2-31,32-3-4-32)25-49(26-59(53,33-5-6-33)34-7-8-34)43-46-44(50(27-60(54,35-9-10-35)36-11-12-36)28-61(55,37-13-14-37)38-15-16-38)48-45(47-43)51(29-62(56,39-17-18-39)40-19-20-40)30-63(57,41-21-22-41)42-23-24-42/h79-90H,1-78H2;43-54H,1-42H2;31-42H,1-30H2
InChIKeyAKQVBVZMRCWOOR-UHFFFAOYSA-N
MW3778.47 g/mol
LogP59.90
Rot. Bonds81

About 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 164950213) has the molecular formula C195H336N18O18P18 and a molecular weight of 3778.47 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID164950213
Molecular FormulaC195H336N18O18P18
Molecular Weight3778.47 g/mol
Exact Mass3776.12
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESO=P(CN(CP(=O)(C1CC1)C1CC1)c1nc(N(CP(=O)(C2CC2)C2CC2)CP(=O)(C2CC2)C2CC2)nc(N(CP(=O)(C2CC2)C2CC2)CP(=O)(C2CC2)C2CC2)n1)(C1CC1)C1CC1.O=P(CN(CP(=O)(C1CCC1)C1CCC1)c1nc(N(CP(=O)(C2CCC2)C2CCC2)CP(=O)(C2CCC2)C2CCC2)nc(N(CP(=O)(C2CCC2)C2CCC2)CP(=O)(C2CCC2)C2CCC2)n1)(C1CCC1)C1CCC1.O=P(CN(CP(=O)(C1CCCCCC1)C1CCCCCC1)c1nc(N(CP(=O)(C2CCCCCC2)C2CCCCCC2)CP(=O)(C2CCCCCC2)C2CCCCCC2)nc(N(CP(=O)(C2CCCCCC2)C2CCCCCC2)CP(=O)(C2CCCCCC2)C2CCCCCC2)n1)(C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C93H168N6O6P6.C57H96N6O6P6.C45H72N6O6P6/c100-106(79-49-25-1-2-26-50-79,80-51-27-3-4-28-52-80)73-97(74-107(101,81-53-29-5-6-30-54-81)82-55-31-7-8-32-56-82)91-94-92(98(75-108(102,83-57-33-9-10-34-58-83)84-59-35-11-12-36-60-84)76-109(103,85-61-37-13-14-38-62-85)86-63-39-15-16-40-64-86)96-93(95-91)99(77-110(104,87-65-41-17-18-42-66-87)88-67-43-19-20-44-68-88)78-111(105,89-69-45-21-22-46-70-89)90-71-47-23-24-48-72-90;64-70(43-13-1-14-43,44-15-2-16-44)37-61(38-71(65,45-17-3-18-45)46-19-4-20-46)55-58-56(62(39-72(66,47-21-5-22-47)48-23-6-24-48)40-73(67,49-25-7-26-49)50-27-8-28-50)60-57(59-55)63(41-74(68,51-29-9-30-51)52-31-10-32-52)42-75(69,53-33-11-34-53)54-35-12-36-54;52-58(31-1-2-31,32-3-4-32)25-49(26-59(53,33-5-6-33)34-7-8-34)43-46-44(50(27-60(54,35-9-10-35)36-11-12-36)28-61(55,37-13-14-37)38-15-16-38)48-45(47-43)51(29-62(56,39-17-18-39)40-19-20-40)30-63(57,41-21-22-41)42-23-24-42/h79-90H,1-78H2;43-54H,1-42H2;31-42H,1-30H2
InChIKeyAKQVBVZMRCWOOR-UHFFFAOYSA-N
XLogP59.90
TPSA452.43 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds81
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003778.47
LogP ≤ 559.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

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1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 165065913
N-[4,6-bis[bis(cyclohexanecarbonyl)amino]-1,3,5-triazin-2-yl]-N-(cyclohexanecarbonyl)cyclohexanecarboxamide
CID 70872087
di(cyclooctyl)phosphinic acid
CID 15243623
2-dicyclohexylphosphoryl-N-(2-dicyclohexylphosphorylethyl)-N-(2-methylsulfanylethyl)ethanamine
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1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
CID 20741638
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine
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1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenoxyphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
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CID 578151

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 164950213) is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine is O=P(CN(CP(=O)(C1CC1)C1CC1)c1nc(N(CP(=O)(C2CC2)C2CC2)CP(=O)(C2CC2)C2CC2)nc(N(CP(=O)(C2CC2)C2CC2)CP(=O)(C2CC2)C2CC2)n1)(C1CC1)C1CC1.O=P(CN(CP(=O)(C1CCC1)C1CCC1)c1nc(N(CP(=O)(C2CCC2)C2CCC2)CP(=O)(C2CCC2)C2CCC2)nc(N(CP(=O)(C2CCC2)C2CCC2)CP(=O)(C2CCC2)C2CCC2)n1)(C1CCC1)C1CCC1.O=P(CN(CP(=O)(C1CCCCCC1)C1CCCCCC1)c1nc(N(CP(=O)(C2CCCCCC2)C2CCCCCC2)CP(=O)(C2CCCCCC2)C2CCCCCC2)nc(N(CP(=O)(C2CCCCCC2)C2CCCCCC2)CP(=O)(C2CCCCCC2)C2CCCCCC2)n1)(C1CCCCCC1)C1CCCCCC1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AKQVBVZMRCWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H168N6O6P6.C57H96N6O6P6.C45H72N6O6P6/c100-106(79-49-25-1-2-26-50-79,80-51-27-3-4-28-52-80)73-97(74-107(101,81-53-29-5-6-30-54-81)82-55-31-7-8-32-56-82)91-94-92(98(75-108(102,83-57-33-9-10-34-58-83)84-59-35-11-12-36-60-84)76-109(103,85-61-37-13-14-38-62-85)86-63-39-15-16-40-64-86)96-93(95-91)99(77-110(104,87-65-41-17-18-42-66-87)88-67-43-19-20-44-68-88)78-111(105,89-69-45-21-22-46-70-89)90-71-47-23-24-48-72-90;64-70(43-13-1-14-43,44-15-2-16-44)37-61(38-71(65,45-17-3-18-45)46-19-4-20-46)55-58-56(62(39-72(66,47-21-5-22-47)48-23-6-24-48)40-73(67,49-25-7-26-49)50-27-8-28-50)60-57(59-55)63(41-74(68,51-29-9-30-51)52-31-10-32-52)42-75(69,53-33-11-34-53)54-35-12-36-54;52-58(31-1-2-31,32-3-4-32)25-49(26-59(53,33-5-6-33)34-7-8-34)43-46-44(50(27-60(54,35-9-10-35)36-11-12-36)28-61(55,37-13-14-37)38-15-16-38)48-45(47-43)51(29-62(56,39-17-18-39)40-19-20-40)30-63(57,41-21-22-41)42-23-24-42/h79-90H,1-78H2;43-54H,1-42H2;31-42H,1-30H2.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 3778.47 g/mol, XLogP of 59.90, 81 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cyclobutyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis[di(cycloheptyl)phosphorylmethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(dicyclopropylphosphorylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 164950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).