1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine

C91H84N6O15P6Si — CID 160875815

IUPAC1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine
SMILESC=CCNP1(=O)Oc2ccccc2-c2ccccc21.CO[Si](CCCNP1(=O)Oc2ccccc2-c2ccccc21)(OC)OC.O=P1(N2CCN(P3(=O)Oc4ccccc4-c4ccccc43)CC2)Oc2ccccc2-c2ccccc21.O=P1(Nc2ccc(NP3(=O)Oc4ccccc4-c4ccccc43)cc2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C30H22N2O4P2.C28H24N2O4P2.C18H24NO5PSi.C15H14NO2P/c33-37(29-15-7-3-11-25(29)23-9-1-5-13-27(23)35-37)31-21-17-19-22(20-18-21)32-38(34)30-16-8-4-12-26(30)24-10-2-6-14-28(24)36-38;31-35(27-15-7-3-11-23(27)21-9-1-5-13-25(21)33-35)29-17-19-30(20-18-29)36(32)28-16-8-4-12-24(28)22-10-2-6-14-26(22)34-36;1-21-26(22-2,23-3)14-8-13-19-25(20)18-12-7-5-10-16(18)15-9-4-6-11-17(15)24-25;1-2-11-16-19(17)15-10-6-4-8-13(15)12-7-3-5-9-14(12)18-19/h1-20H,(H,31,33)(H,32,34);1-16H,17-20H2;4-7,9-12H,8,13-14H2,1-3H3,(H,19,20);2-10H,1,11H2,(H,16,17)
InChIKeySMJLRMFBZCASBC-UHFFFAOYSA-N
MW1715.63 g/mol
LogP20.19
Rot. Bonds17

About 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine

1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine (PubChem CID 160875815) has the molecular formula C91H84N6O15P6Si and a molecular weight of 1715.63 g/mol. Its IUPAC name is 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine.

Molecular Properties

Compound Name1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine
PubChem CID160875815
Molecular FormulaC91H84N6O15P6Si
Molecular Weight1715.63 g/mol
Exact Mass1714.42
IUPAC Name1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine
SMILESC=CCNP1(=O)Oc2ccccc2-c2ccccc21.CO[Si](CCCNP1(=O)Oc2ccccc2-c2ccccc21)(OC)OC.O=P1(N2CCN(P3(=O)Oc4ccccc4-c4ccccc43)CC2)Oc2ccccc2-c2ccccc21.O=P1(Nc2ccc(NP3(=O)Oc4ccccc4-c4ccccc43)cc2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C30H22N2O4P2.C28H24N2O4P2.C18H24NO5PSi.C15H14NO2P/c33-37(29-15-7-3-11-25(29)23-9-1-5-13-27(23)35-37)31-21-17-19-22(20-18-21)32-38(34)30-16-8-4-12-26(30)24-10-2-6-14-28(24)36-38;31-35(27-15-7-3-11-23(27)21-9-1-5-13-25(21)33-35)29-17-19-30(20-18-29)36(32)28-16-8-4-12-24(28)22-10-2-6-14-26(22)34-36;1-21-26(22-2,23-3)14-8-13-19-25(20)18-12-7-5-10-16(18)15-9-4-6-11-17(15)24-25;1-2-11-16-19(17)15-10-6-4-8-13(15)12-7-3-5-9-14(12)18-19/h1-20H,(H,31,33)(H,32,34);1-16H,17-20H2;4-7,9-12H,8,13-14H2,1-3H3,(H,19,20);2-10H,1,11H2,(H,16,17)
InChIKeySMJLRMFBZCASBC-UHFFFAOYSA-N
XLogP20.19
TPSA240.09 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001715.63
LogP ≤ 520.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine with MolForge

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Related Compounds

1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 101258265
1,3-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]urea
CID 155313188
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine
CID 4188081
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
methylamino 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propanoate
CID 123501357
N-(2-trimethoxysilylethyl)prop-2-en-1-amine
CID 87211217
1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 160608875
4-[[4-[4-[[(4-hydroxy-3-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]phenoxy]anilino]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-methoxyphenol
CID 122234885
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439
methyl bis[3-[[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-phenylmethyl]amino]propyl] phosphate
CID 177077133

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine?
The IUPAC name of 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine (CID 160875815) is 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine.
What is the SMILES notation for 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine?
The canonical SMILES for 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine is C=CCNP1(=O)Oc2ccccc2-c2ccccc21.CO[Si](CCCNP1(=O)Oc2ccccc2-c2ccccc21)(OC)OC.O=P1(N2CCN(P3(=O)Oc4ccccc4-c4ccccc43)CC2)Oc2ccccc2-c2ccccc21.O=P1(Nc2ccc(NP3(=O)Oc4ccccc4-c4ccccc43)cc2)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine?
The InChIKey is SMJLRMFBZCASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O4P2.C28H24N2O4P2.C18H24NO5PSi.C15H14NO2P/c33-37(29-15-7-3-11-25(29)23-9-1-5-13-27(23)35-37)31-21-17-19-22(20-18-21)32-38(34)30-16-8-4-12-26(30)24-10-2-6-14-28(24)36-38;31-35(27-15-7-3-11-23(27)21-9-1-5-13-25(21)33-35)29-17-19-30(20-18-29)36(32)28-16-8-4-12-24(28)22-10-2-6-14-26(22)34-36;1-21-26(22-2,23-3)14-8-13-19-25(20)18-12-7-5-10-16(18)15-9-4-6-11-17(15)24-25;1-2-11-16-19(17)15-10-6-4-8-13(15)12-7-3-5-9-14(12)18-19/h1-20H,(H,31,33)(H,32,34);1-16H,17-20H2;4-7,9-12H,8,13-14H2,1-3H3,(H,19,20);2-10H,1,11H2,(H,16,17).
What are the key properties of 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine?
1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine has a molecular weight of 1715.63 g/mol, XLogP of 20.19, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diamine;6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)piperazin-1-yl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-oxo-N-prop-2-enylbenzo[c][2,1]benzoxaphosphinin-6-amine;6-oxo-N-(3-trimethoxysilylpropyl)benzo[c][2,1]benzoxaphosphinin-6-amine is sourced from PubChem (CID 160875815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).