[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid

C152H211N23O58P22S5 — CID 172922683

IUPAC[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid
SMILESCCN(CC)CCc1ccc(OP(=S)(Oc2ccc(CCN(C)C)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(C)C)cc5)Oc5ccc(CCN(C)CP(=O)(O)O)cc5)cc4)=NP(Oc4ccccc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(C)C)cc5)Oc5ccc(CCN(CC)CC)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(CC)CC)cc5)Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)cc4)=N3)cc2)cc1.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O
InChIInChI=1S/C152H204N23O37P15S5.7HO3P/c1-19-170(20-2)104-94-126-38-68-147(69-39-126)207-224(229,204-144-62-32-123(33-63-144)91-101-162(9)10)166(15)154-112-134-54-84-140(85-55-134)200-221(199-139-82-52-133(53-83-139)111-153-165(14)223(228,203-143-60-30-122(31-61-143)90-100-161(7)8)206-146-66-36-125(37-67-146)93-103-164(13)115-213(176,177)178)158-220(197-137-28-26-25-27-29-137,198-138-80-50-132(51-81-138)110-156-169(18)227(232,211-151-76-46-130(47-77-151)98-108-174(118-216(185,186)187)119-217(188,189)190)212-152-78-48-131(49-79-152)99-109-175(120-218(191,192)193)121-219(194,195)196)159-222(160-221,201-141-86-56-135(57-87-141)113-155-167(16)225(230,205-145-64-34-124(35-65-145)92-102-163(11)12)208-148-70-40-127(41-71-148)95-105-171(21-3)22-4)202-142-88-58-136(59-89-142)114-157-168(17)226(231,209-149-72-42-128(43-73-149)96-106-172(23-5)24-6)210-150-74-44-129(45-75-150)97-107-173(116-214(179,180)181)117-215(182,183)184;7*1-4(2)3/h25-89,110-114H,19-24,90-109,115-121H2,1-18H3,(H2,176,177,178)(H2,179,180,181)(H2,182,183,184)(H2,185,186,187)(H2,188,189,190)(H2,191,192,193)(H2,194,195,196);7*(H,1,2,3)/b153-111+,154-112+,155-113+,156-110+,157-114+;;;;;;;
InChIKeyRNVRDKYNJVENIK-RIHNHYKBSA-N
MW4130.23 g/mol
LogP23.45
Rot. Bonds97

About [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid

[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid (PubChem CID 172922683) has the molecular formula C152H211N23O58P22S5 and a molecular weight of 4130.23 g/mol. Its IUPAC name is [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid.

Molecular Properties

Compound Name[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid
PubChem CID172922683
Molecular FormulaC152H211N23O58P22S5
Molecular Weight4130.23 g/mol
Exact Mass4127.71
IUPAC Name[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid
SMILESCCN(CC)CCc1ccc(OP(=S)(Oc2ccc(CCN(C)C)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(C)C)cc5)Oc5ccc(CCN(C)CP(=O)(O)O)cc5)cc4)=NP(Oc4ccccc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(C)C)cc5)Oc5ccc(CCN(CC)CC)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(CC)CC)cc5)Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)cc4)=N3)cc2)cc1.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O
InChIInChI=1S/C152H204N23O37P15S5.7HO3P/c1-19-170(20-2)104-94-126-38-68-147(69-39-126)207-224(229,204-144-62-32-123(33-63-144)91-101-162(9)10)166(15)154-112-134-54-84-140(85-55-134)200-221(199-139-82-52-133(53-83-139)111-153-165(14)223(228,203-143-60-30-122(31-61-143)90-100-161(7)8)206-146-66-36-125(37-67-146)93-103-164(13)115-213(176,177)178)158-220(197-137-28-26-25-27-29-137,198-138-80-50-132(51-81-138)110-156-169(18)227(232,211-151-76-46-130(47-77-151)98-108-174(118-216(185,186)187)119-217(188,189)190)212-152-78-48-131(49-79-152)99-109-175(120-218(191,192)193)121-219(194,195)196)159-222(160-221,201-141-86-56-135(57-87-141)113-155-167(16)225(230,205-145-64-34-124(35-65-145)92-102-163(11)12)208-148-70-40-127(41-71-148)95-105-171(21-3)22-4)202-142-88-58-136(59-89-142)114-157-168(17)226(231,209-149-72-42-128(43-73-149)96-106-172(23-5)24-6)210-150-74-44-129(45-75-150)97-107-173(116-214(179,180)181)117-215(182,183)184;7*1-4(2)3/h25-89,110-114H,19-24,90-109,115-121H2,1-18H3,(H2,176,177,178)(H2,179,180,181)(H2,182,183,184)(H2,185,186,187)(H2,188,189,190)(H2,191,192,193)(H2,194,195,196);7*(H,1,2,3)/b153-111+,154-112+,155-113+,156-110+,157-114+;;;;;;;
InChIKeyRNVRDKYNJVENIK-RIHNHYKBSA-N
XLogP23.45
TPSA1120.39 Ų
H-Bond Donors21
H-Bond Acceptors60
Rotatable Bonds97
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004130.23
LogP ≤ 523.45
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1060

Analyze [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90932816
CID 90932816
[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2-[4-[(E)-[[[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-[4-[2-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)ethyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-ethylamino]methoxy-hydroxy-oxophosphanium
CID 172983502
[2-[4-[[[(E)-[4-[[2-[4-[2-[[(E)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoyl]amino]ethyl]phenoxy]-4,6-bis[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-4-[4-[(E)-[[[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]-[4-[[bis(phosphonomethyl)amino]methyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]-[4-[2-[phosphonomethyl(phosphooxymethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid
CID 59401072
1-[2-[4-[[2,4,4,6,6-pentakis[4-[(E)-[bis[4-[(E)-[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]ethyl]-3,4-diphenylpyrrole-2,5-dione
CID 23659268
[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558263
disodium;[2-[4-[[[(E)-[4-bis(phosphanyl)phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate
CID 59400991
tris[2-[4-[(E)-[bis[4-[(E)-[bis(4-carboxyphenoxy)phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]ethyl]-methylazanium
CID 44818066
N-dichlorophosphinothioyl-N-[(E)-[4-(phenoxymethoxy)phenyl]methylideneamino]methanamine;methane
CID 172946769
[[[4-[azido(phosphanyl)phosphanyl]phosphanyloxyphenyl]methylideneamino]-methylamino]-[4-[[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]methyliminophosphanyl]phenoxy]-sulfanylidenephosphanium;1,1'-biphenyl
CID 90931812
2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
[2-[2-[benzyl(ethyl)amino]ethyl-[[hydroxy(iodooxy)phosphoryl]methyl]amino]ethyl-methylamino]methylphosphonic acid
CID 167081665
2-[4-[[bis[4-(2-aminoethyl)phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenyl]propan-2-yl-[methyl-[[4-(2-methylbutan-2-yloxy)phenyl]methylideneamino]amino]-sulfanylidenephosphanium
CID 123860301

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid?
The IUPAC name of [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid (CID 172922683) is [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid.
What is the SMILES notation for [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid?
The canonical SMILES for [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid is CCN(CC)CCc1ccc(OP(=S)(Oc2ccc(CCN(C)C)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(C)C)cc5)Oc5ccc(CCN(C)CP(=O)(O)O)cc5)cc4)=NP(Oc4ccccc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(C)C)cc5)Oc5ccc(CCN(CC)CC)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(CCN(CC)CC)cc5)Oc5ccc(CCN(CP(=O)(O)O)CP(=O)(O)O)cc5)cc4)=N3)cc2)cc1.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.O=[P+]([O-])O.
What is the InChIKey of [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid?
The InChIKey is RNVRDKYNJVENIK-RIHNHYKBSA-N. The full InChI is InChI=1S/C152H204N23O37P15S5.7HO3P/c1-19-170(20-2)104-94-126-38-68-147(69-39-126)207-224(229,204-144-62-32-123(33-63-144)91-101-162(9)10)166(15)154-112-134-54-84-140(85-55-134)200-221(199-139-82-52-133(53-83-139)111-153-165(14)223(228,203-143-60-30-122(31-61-143)90-100-161(7)8)206-146-66-36-125(37-67-146)93-103-164(13)115-213(176,177)178)158-220(197-137-28-26-25-27-29-137,198-138-80-50-132(51-81-138)110-156-169(18)227(232,211-151-76-46-130(47-77-151)98-108-174(118-216(185,186)187)119-217(188,189)190)212-152-78-48-131(49-79-152)99-109-175(120-218(191,192)193)121-219(194,195)196)159-222(160-221,201-141-86-56-135(57-87-141)113-155-167(16)225(230,205-145-64-34-124(35-65-145)92-102-163(11)12)208-148-70-40-127(41-71-148)95-105-171(21-3)22-4)202-142-88-58-136(59-89-142)114-157-168(17)226(231,209-149-72-42-128(43-73-149)96-106-172(23-5)24-6)210-150-74-44-129(45-75-150)97-107-173(116-214(179,180)181)117-215(182,183)184;7*1-4(2)3/h25-89,110-114H,19-24,90-109,115-121H2,1-18H3,(H2,176,177,178)(H2,179,180,181)(H2,182,183,184)(H2,185,186,187)(H2,188,189,190)(H2,191,192,193)(H2,194,195,196);7*(H,1,2,3)/b153-111+,154-112+,155-113+,156-110+,157-114+;;;;;;;.
What are the key properties of [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid?
[2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid has a molecular weight of 4130.23 g/mol, XLogP of 23.45, 97 rotatable bonds, 21 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[[(E)-[4-[[4-[4-[(E)-[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-2,6-bis[4-[(E)-[[[4-[2-(diethylamino)ethyl]phenoxy]-[4-[2-(dimethylamino)ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-6-[4-[(E)-[[[4-[2-(dimethylamino)ethyl]phenoxy]-[4-[2-[methyl(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]-methylhydrazinylidene]methyl]phenoxy]-4-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-(diethylamino)ethyl]phenoxy]phosphinothioyl]oxyphenyl]ethyl-(phosphonomethyl)amino]methylphosphonic acid;phosphenic acid is sourced from PubChem (CID 172922683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).