6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione

C144H126N9O27P9 — CID 159338875

IUPAC6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(Cn1c(=O)n(CC(C)P2(=O)Oc3ccccc3-c3ccccc32)c(=O)n(CC(C)P2(=O)Oc3ccccc3-c3ccccc32)c1=O)P1(=O)Oc2ccccc2-c2ccccc21.O=P1(CCCOc2nc(OCCCP3(=O)Oc4ccccc4-c4ccccc43)nc(OCCCP3(=O)Oc4ccccc4-c4ccccc43)n2)Oc2ccccc2-c2ccccc21.O=c1n(CCCP2(=O)Oc3ccccc3-c3ccccc32)c(=O)n(CCCP2(=O)Oc3ccccc3-c3ccccc32)c(=O)n1CCCP1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/3C48H42N3O9P3/c1-31(61(55)43-25-13-7-19-37(43)34-16-4-10-22-40(34)58-61)28-49-46(52)50(29-32(2)62(56)44-26-14-8-20-38(44)35-17-5-11-23-41(35)59-62)48(54)51(47(49)53)30-33(3)63(57)45-27-15-9-21-39(45)36-18-6-12-24-42(36)60-63;52-61(43-25-10-4-19-37(43)34-16-1-7-22-40(34)58-61)31-13-28-55-46-49-47(56-29-14-32-62(53)44-26-11-5-20-38(44)35-17-2-8-23-41(35)59-62)51-48(50-46)57-30-15-33-63(54)45-27-12-6-21-39(45)36-18-3-9-24-42(36)60-63;52-46-49(28-13-31-61(55)43-25-10-4-19-37(43)34-16-1-7-22-40(34)58-61)47(53)51(30-15-33-63(57)45-27-12-6-21-39(45)36-18-3-9-24-42(36)60-63)48(54)50(46)29-14-32-62(56)44-26-11-5-20-38(44)35-17-2-8-23-41(35)59-62/h4-27,31-33H,28-30H2,1-3H3;2*1-12,16-27H,13-15,28-33H2
InChIKeyLFWSQQLUTBVRSU-UHFFFAOYSA-N
MW2693.39 g/mol
LogP26.82
Rot. Bonds36

About 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione

6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 159338875) has the molecular formula C144H126N9O27P9 and a molecular weight of 2693.39 g/mol. Its IUPAC name is 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID159338875
Molecular FormulaC144H126N9O27P9
Molecular Weight2693.39 g/mol
Exact Mass2691.64
IUPAC Name6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(Cn1c(=O)n(CC(C)P2(=O)Oc3ccccc3-c3ccccc32)c(=O)n(CC(C)P2(=O)Oc3ccccc3-c3ccccc32)c1=O)P1(=O)Oc2ccccc2-c2ccccc21.O=P1(CCCOc2nc(OCCCP3(=O)Oc4ccccc4-c4ccccc43)nc(OCCCP3(=O)Oc4ccccc4-c4ccccc43)n2)Oc2ccccc2-c2ccccc21.O=c1n(CCCP2(=O)Oc3ccccc3-c3ccccc32)c(=O)n(CCCP2(=O)Oc3ccccc3-c3ccccc32)c(=O)n1CCCP1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/3C48H42N3O9P3/c1-31(61(55)43-25-13-7-19-37(43)34-16-4-10-22-40(34)58-61)28-49-46(52)50(29-32(2)62(56)44-26-14-8-20-38(44)35-17-5-11-23-41(35)59-62)48(54)51(47(49)53)30-33(3)63(57)45-27-15-9-21-39(45)36-18-6-12-24-42(36)60-63;52-61(43-25-10-4-19-37(43)34-16-1-7-22-40(34)58-61)31-13-28-55-46-49-47(56-29-14-32-62(53)44-26-11-5-20-38(44)35-17-2-8-23-41(35)59-62)51-48(50-46)57-30-15-33-63(54)45-27-12-6-21-39(45)36-18-3-9-24-42(36)60-63;52-46-49(28-13-31-61(55)43-25-10-4-19-37(43)34-16-1-7-22-40(34)58-61)47(53)51(30-15-33-63(57)45-27-12-6-21-39(45)36-18-3-9-24-42(36)60-63)48(54)50(46)29-14-32-62(56)44-26-11-5-20-38(44)35-17-2-8-23-41(35)59-62/h4-27,31-33H,28-30H2,1-3H3;2*1-12,16-27H,13-15,28-33H2
InChIKeyLFWSQQLUTBVRSU-UHFFFAOYSA-N
XLogP26.82
TPSA435.06 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002693.39
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 159338875) is 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione is CC(Cn1c(=O)n(CC(C)P2(=O)Oc3ccccc3-c3ccccc32)c(=O)n(CC(C)P2(=O)Oc3ccccc3-c3ccccc32)c1=O)P1(=O)Oc2ccccc2-c2ccccc21.O=P1(CCCOc2nc(OCCCP3(=O)Oc4ccccc4-c4ccccc43)nc(OCCCP3(=O)Oc4ccccc4-c4ccccc43)n2)Oc2ccccc2-c2ccccc21.O=c1n(CCCP2(=O)Oc3ccccc3-c3ccccc32)c(=O)n(CCCP2(=O)Oc3ccccc3-c3ccccc32)c(=O)n1CCCP1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is LFWSQQLUTBVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H42N3O9P3/c1-31(61(55)43-25-13-7-19-37(43)34-16-4-10-22-40(34)58-61)28-49-46(52)50(29-32(2)62(56)44-26-14-8-20-38(44)35-17-5-11-23-41(35)59-62)48(54)51(47(49)53)30-33(3)63(57)45-27-15-9-21-39(45)36-18-6-12-24-42(36)60-63;52-61(43-25-10-4-19-37(43)34-16-1-7-22-40(34)58-61)31-13-28-55-46-49-47(56-29-14-32-62(53)44-26-11-5-20-38(44)35-17-2-8-23-41(35)59-62)51-48(50-46)57-30-15-33-63(54)45-27-12-6-21-39(45)36-18-3-9-24-42(36)60-63;52-46-49(28-13-31-61(55)43-25-10-4-19-37(43)34-16-1-7-22-40(34)58-61)47(53)51(30-15-33-63(57)45-27-12-6-21-39(45)36-18-3-9-24-42(36)60-63)48(54)50(46)29-14-32-62(56)44-26-11-5-20-38(44)35-17-2-8-23-41(35)59-62/h4-27,31-33H,28-30H2,1-3H3;2*1-12,16-27H,13-15,28-33H2.
What are the key properties of 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 2693.39 g/mol, XLogP of 26.82, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[4,6-bis[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propoxy]-1,3,5-triazin-2-yl]oxy]propyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;1,3,5-tris[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159338875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).