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

C144H138Cl20N34O18P18S15 — CID 23659268

IUPAC1-[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
SMILESCN(/N=C/c1ccc(OP(=S)(Oc2ccc(/C=N/N(C)P(=S)(Cl)Cl)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)(Oc4ccc(CCN5C(=O)C(c6ccccc6)=C(c6ccccc6)C5=O)cc4)=N3)cc2)cc1)P(=S)(Cl)Cl
InChIInChI=1S/C144H138Cl20N34O18P18S15/c1-183(217(145,146)235)165-92-108-38-70-131(71-39-108)207-230(245,208-132-72-40-109(41-73-132)93-166-184(2)218(147,148)236)193(11)175-102-118-28-60-126(61-29-118)202-227(201-125-58-26-107(27-59-125)90-91-198-143(199)141(123-22-18-16-19-23-123)142(144(198)200)124-24-20-17-21-25-124)180-228(203-127-62-30-119(31-63-127)103-176-194(12)231(246,209-133-74-42-110(43-75-133)94-167-185(3)219(149,150)237)210-134-76-44-111(45-77-134)95-168-186(4)220(151,152)238,204-128-64-32-120(33-65-128)104-177-195(13)232(247,211-135-78-46-112(47-79-135)96-169-187(5)221(153,154)239)212-136-80-48-113(49-81-136)97-170-188(6)222(155,156)240)182-229(181-227,205-129-66-34-121(35-67-129)105-178-196(14)233(248,213-137-82-50-114(51-83-137)98-171-189(7)223(157,158)241)214-138-84-52-115(53-85-138)99-172-190(8)224(159,160)242)206-130-68-36-122(37-69-130)106-179-197(15)234(249,215-139-86-54-116(55-87-139)100-173-191(9)225(161,162)243)216-140-88-56-117(57-89-140)101-174-192(10)226(163,164)244/h16-89,92-106H,90-91H2,1-15H3/b165-92+,166-93+,167-94+,168-95+,169-96+,170-97+,171-98+,172-99+,173-100+,174-101+,175-102+,176-103+,177-104+,178-105+,179-106+
InChIKeyKBGDEQDECZHXLO-DEKFAURWSA-N
MW4380.50 g/mol
LogP52.75
Rot. Bonds82

About 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

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 (PubChem CID 23659268) has the molecular formula C144H138Cl20N34O18P18S15 and a molecular weight of 4380.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID23659268
Molecular FormulaC144H138Cl20N34O18P18S15
Molecular Weight4380.50 g/mol
Exact Mass4367.58
IUPAC Name1-[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
SMILESCN(/N=C/c1ccc(OP(=S)(Oc2ccc(/C=N/N(C)P(=S)(Cl)Cl)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)(Oc4ccc(CCN5C(=O)C(c6ccccc6)=C(c6ccccc6)C5=O)cc4)=N3)cc2)cc1)P(=S)(Cl)Cl
InChIInChI=1S/C144H138Cl20N34O18P18S15/c1-183(217(145,146)235)165-92-108-38-70-131(71-39-108)207-230(245,208-132-72-40-109(41-73-132)93-166-184(2)218(147,148)236)193(11)175-102-118-28-60-126(61-29-118)202-227(201-125-58-26-107(27-59-125)90-91-198-143(199)141(123-22-18-16-19-23-123)142(144(198)200)124-24-20-17-21-25-124)180-228(203-127-62-30-119(31-63-127)103-176-194(12)231(246,209-133-74-42-110(43-75-133)94-167-185(3)219(149,150)237)210-134-76-44-111(45-77-134)95-168-186(4)220(151,152)238,204-128-64-32-120(33-65-128)104-177-195(13)232(247,211-135-78-46-112(47-79-135)96-169-187(5)221(153,154)239)212-136-80-48-113(49-81-136)97-170-188(6)222(155,156)240)182-229(181-227,205-129-66-34-121(35-67-129)105-178-196(14)233(248,213-137-82-50-114(51-83-137)98-171-189(7)223(157,158)241)214-138-84-52-115(53-85-138)99-172-190(8)224(159,160)242)206-130-68-36-122(37-69-130)106-179-197(15)234(249,215-139-86-54-116(55-87-139)100-173-191(9)225(161,162)243)216-140-88-56-117(57-89-140)101-174-192(10)226(163,164)244/h16-89,92-106H,90-91H2,1-15H3/b165-92+,166-93+,167-94+,168-95+,169-96+,170-97+,171-98+,172-99+,173-100+,174-101+,175-102+,176-103+,177-104+,178-105+,179-106+
InChIKeyKBGDEQDECZHXLO-DEKFAURWSA-N
XLogP52.75
TPSA456.14 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds82
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004380.50
LogP ≤ 552.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze 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 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

[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
N-bis[4-(2-chloroethoxy)phenoxy]phosphinothioyl-N-[(E)-[4-[[2,4,4,6,6-pentakis[4-[(E)-[bis[4-(2-chloroethoxy)phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methylideneamino]methanamine
CID 46242446
CID 90932816
CID 90932816
[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
N-dichlorophosphinothioyl-N-[(E)-[4-(phenoxymethoxy)phenyl]methylideneamino]methanamine;methane
CID 172946769
1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110558864
tris[2-[4-[(E)-[bis[4-[(E)-[bis(4-carboxyphenoxy)phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]ethyl]-methylazanium
CID 44818066
[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
3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110558839
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(/N=C/c1ccc(OP(=S)(Oc2ccc(/C=N/N(C)P(=S)(Cl)Cl)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)Oc5ccc(/C=N/N(C)P(=S)(Cl)Cl)cc5)cc4)(Oc4ccc(CCN5C(=O)C(c6ccccc6)=C(c6ccccc6)C5=O)cc4)=N3)cc2)cc1)P(=S)(Cl)Cl.
What is the InChIKey of 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?
The InChIKey is KBGDEQDECZHXLO-DEKFAURWSA-N. The full InChI is InChI=1S/C144H138Cl20N34O18P18S15/c1-183(217(145,146)235)165-92-108-38-70-131(71-39-108)207-230(245,208-132-72-40-109(41-73-132)93-166-184(2)218(147,148)236)193(11)175-102-118-28-60-126(61-29-118)202-227(201-125-58-26-107(27-59-125)90-91-198-143(199)141(123-22-18-16-19-23-123)142(144(198)200)124-24-20-17-21-25-124)180-228(203-127-62-30-119(31-63-127)103-176-194(12)231(246,209-133-74-42-110(43-75-133)94-167-185(3)219(149,150)237)210-134-76-44-111(45-77-134)95-168-186(4)220(151,152)238,204-128-64-32-120(33-65-128)104-177-195(13)232(247,211-135-78-46-112(47-79-135)96-169-187(5)221(153,154)239)212-136-80-48-113(49-81-136)97-170-188(6)222(155,156)240)182-229(181-227,205-129-66-34-121(35-67-129)105-178-196(14)233(248,213-137-82-50-114(51-83-137)98-171-189(7)223(157,158)241)214-138-84-52-115(53-85-138)99-172-190(8)224(159,160)242)206-130-68-36-122(37-69-130)106-179-197(15)234(249,215-139-86-54-116(55-87-139)100-173-191(9)225(161,162)243)216-140-88-56-117(57-89-140)101-174-192(10)226(163,164)244/h16-89,92-106H,90-91H2,1-15H3/b165-92+,166-93+,167-94+,168-95+,169-96+,170-97+,171-98+,172-99+,173-100+,174-101+,175-102+,176-103+,177-104+,178-105+,179-106+.
What are the key properties of 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?
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 has a molecular weight of 4380.50 g/mol, XLogP of 52.75, 82 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23659268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).