bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole

C72H222N4O2P108S2 — CID 161355345

IUPACbis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole
SMILESCCCCCCCCC1(CCCCCCCC)N=c2c(C)cc3c4c(c(-c5cc6c(OCC(CC)CCCC)c7sc(C)cc7c(OCC(CC)CCCC)c6s5)cc3c2=N1)=NC(CCCCCCCC)(CCCCCCCC)N=4.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C72H112N4O2S2.H110P108/c1-11-19-25-29-33-37-43-71(44-38-34-30-26-20-12-2)73-63-53(9)47-57-58(64(63)74-71)49-59(66-65(57)75-72(76-66,45-39-35-31-27-21-13-3)46-40-36-32-28-22-14-4)62-50-61-68(78-52-56(18-8)42-24-16-6)69-60(48-54(10)79-69)67(70(61)80-62)77-51-55(17-7)41-23-15-5;1-56(2)83(55)97(84(57(3)4)58(5)6)104(98(85(59(7)8)60(9)10)86(61(11)12)62(13)14)107(103(95(79(47)48)80(49)50)96(81(51)52)82(53)54)108(105(99(87(63(15)16)64(17)18)88(65(19)20)66(21)22)100(89(67(23)24)68(25)26)90(69(27)28)70(29)30)106(101(91(71(31)32)72(33)34)92(73(35)36)74(37)38)102(93(75(39)40)76(41)42)94(77(43)44)78(45)46/h47-50,55-56H,11-46,51-52H2,1-10H3;1-55H2
InChIKeyVOLTYHPZWZQSQG-UHFFFAOYSA-N
MW4585.92 g/mol
LogP85.21
Rot. Bonds95

About bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole

bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole (PubChem CID 161355345) has the molecular formula C72H222N4O2P108S2 and a molecular weight of 4585.92 g/mol. Its IUPAC name is bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole.

Molecular Properties

Compound Namebis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole
PubChem CID161355345
Molecular FormulaC72H222N4O2P108S2
Molecular Weight4585.92 g/mol
Exact Mass4584.85
IUPAC Namebis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole
SMILESCCCCCCCCC1(CCCCCCCC)N=c2c(C)cc3c4c(c(-c5cc6c(OCC(CC)CCCC)c7sc(C)cc7c(OCC(CC)CCCC)c6s5)cc3c2=N1)=NC(CCCCCCCC)(CCCCCCCC)N=4.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C72H112N4O2S2.H110P108/c1-11-19-25-29-33-37-43-71(44-38-34-30-26-20-12-2)73-63-53(9)47-57-58(64(63)74-71)49-59(66-65(57)75-72(76-66,45-39-35-31-27-21-13-3)46-40-36-32-28-22-14-4)62-50-61-68(78-52-56(18-8)42-24-16-6)69-60(48-54(10)79-69)67(70(61)80-62)77-51-55(17-7)41-23-15-5;1-56(2)83(55)97(84(57(3)4)58(5)6)104(98(85(59(7)8)60(9)10)86(61(11)12)62(13)14)107(103(95(79(47)48)80(49)50)96(81(51)52)82(53)54)108(105(99(87(63(15)16)64(17)18)88(65(19)20)66(21)22)100(89(67(23)24)68(25)26)90(69(27)28)70(29)30)106(101(91(71(31)32)72(33)34)92(73(35)36)74(37)38)102(93(75(39)40)76(41)42)94(77(43)44)78(45)46/h47-50,55-56H,11-46,51-52H2,1-10H3;1-55H2
InChIKeyVOLTYHPZWZQSQG-UHFFFAOYSA-N
XLogP85.21
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds95
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004585.92
LogP ≤ 585.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole with MolForge

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Related Compounds

[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-trimethylstannane
CID 58568477
2-[4,8-bis(2-ethylhexoxy)-2-(4-octyl-1,3-selenazol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-4-octyl-1,3-selenazole
CID 140608746
4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole-2,6-diamine
CID 123611737
7-[5-[6-[5-[8-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]quinoxalin-5-yl]thiophen-2-yl]-4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-dodecoxy-6-methyl-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 121370073
14,15-bis(2-ethylhexoxy)-4,9-dimethyl-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
CID 90361979
4,8-bis(2-ethylhexoxy)-2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 132551962
4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole-2,6-dicarbaldehyde
CID 131874739
10-methyl-23-(6-methyl-4,8-dioctoxythieno[2,3-f][1]benzothiol-2-yl)-13,13,26,26-tetra(tetradecyl)-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaene
CID 176857190
3-[10-[1-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-7,7-dioctyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione
CID 90361954
4-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-11-methyl-8-(2-tetradecyloctadecyl)-3,7λ6,12-trithia-8-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene 7,7-dioxide
CID 121356612
heptan-3-yl 6-[8-(3-ethylheptoxy)-4-(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-fluoro-4-methylthieno[3,4-b]thiophene-2-carboxylate
CID 171370447
4-[5-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-[5-[2-[3-dodecyl-5-[7-(4-dodecyl-5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-bis(2-hexyldecoxy)thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 170253329

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole?
The IUPAC name of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole (CID 161355345) is bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole.
What is the SMILES notation for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole?
The canonical SMILES for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole is CCCCCCCCC1(CCCCCCCC)N=c2c(C)cc3c4c(c(-c5cc6c(OCC(CC)CCCC)c7sc(C)cc7c(OCC(CC)CCCC)c6s5)cc3c2=N1)=NC(CCCCCCCC)(CCCCCCCC)N=4.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole?
The InChIKey is VOLTYHPZWZQSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H112N4O2S2.H110P108/c1-11-19-25-29-33-37-43-71(44-38-34-30-26-20-12-2)73-63-53(9)47-57-58(64(63)74-71)49-59(66-65(57)75-72(76-66,45-39-35-31-27-21-13-3)46-40-36-32-28-22-14-4)62-50-61-68(78-52-56(18-8)42-24-16-6)69-60(48-54(10)79-69)67(70(61)80-62)77-51-55(17-7)41-23-15-5;1-56(2)83(55)97(84(57(3)4)58(5)6)104(98(85(59(7)8)60(9)10)86(61(11)12)62(13)14)107(103(95(79(47)48)80(49)50)96(81(51)52)82(53)54)108(105(99(87(63(15)16)64(17)18)88(65(19)20)66(21)22)100(89(67(23)24)68(25)26)90(69(27)28)70(29)30)106(101(91(71(31)32)72(33)34)92(73(35)36)74(37)38)102(93(75(39)40)76(41)42)94(77(43)44)78(45)46/h47-50,55-56H,11-46,51-52H2,1-10H3;1-55H2.
What are the key properties of bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole?
bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole has a molecular weight of 4585.92 g/mol, XLogP of 85.21, 95 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;10-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-methyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole is sourced from PubChem (CID 161355345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).