bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane

C156H272Br2P26S12Sn2 — CID 162105824

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(-c3ccc(Br)s3)s2)sc1-c1ccc(Br)s1.CCCCCCCCCCCCc1cc(C)sc1/C=C/c1sc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3CCCCCCCCCCCC)s2)cc1CCCCCCCCCCCC.CCCCCCCCCCCCc1cc([Sn](C)(C)C)sc1/C=C/c1sc([Sn](C)(C)C)cc1CCCCCCCCCCCC.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
InChIInChI=1S/C76H116S6.C40H56Br2S4.C34H54S2.6CH3.H28P26.2Sn/c1-7-11-15-19-23-27-31-35-39-43-47-63-57-62(6)78-67(63)53-54-68-64(48-44-40-36-32-28-24-20-16-12-8-2)58-72(79-68)69-55-56-71(80-69)76-66(50-46-42-38-34-30-26-22-18-14-10-4)60-74(82-76)73-59-65(75(81-73)70-52-51-61(5)77-70)49-45-41-37-33-29-25-21-17-13-9-3;1-3-5-7-9-11-13-15-17-19-21-23-31-29-35(45-39(31)33-25-27-37(41)43-33)36-30-32(40(46-36)34-26-28-38(42)44-34)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-31-27-29-35-33(31)25-26-34-32(28-30-36-34)24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;1-15(2)22(16(3)4)25(21(13)14)26(23(17(5)6)18(7)8)24(19(9)10)20(11)12;;/h51-60H,7-50H2,1-6H3;25-30H,3-24H2,1-2H3;25-28H,3-24H2,1-2H3;6*1H3;1-14H2;;/b54-53+;;26-25+;;;;;;;;;
InChIKeyZFMOCQZKLQJCGP-PDHBSKAZSA-N
MW3735.25 g/mol
LogP75.64
Rot. Bonds112

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane (PubChem CID 162105824) has the molecular formula C156H272Br2P26S12Sn2 and a molecular weight of 3735.25 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane
PubChem CID162105824
Molecular FormulaC156H272Br2P26S12Sn2
Molecular Weight3735.25 g/mol
Exact Mass3732.75
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(-c3ccc(Br)s3)s2)sc1-c1ccc(Br)s1.CCCCCCCCCCCCc1cc(C)sc1/C=C/c1sc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3CCCCCCCCCCCC)s2)cc1CCCCCCCCCCCC.CCCCCCCCCCCCc1cc([Sn](C)(C)C)sc1/C=C/c1sc([Sn](C)(C)C)cc1CCCCCCCCCCCC.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
InChIInChI=1S/C76H116S6.C40H56Br2S4.C34H54S2.6CH3.H28P26.2Sn/c1-7-11-15-19-23-27-31-35-39-43-47-63-57-62(6)78-67(63)53-54-68-64(48-44-40-36-32-28-24-20-16-12-8-2)58-72(79-68)69-55-56-71(80-69)76-66(50-46-42-38-34-30-26-22-18-14-10-4)60-74(82-76)73-59-65(75(81-73)70-52-51-61(5)77-70)49-45-41-37-33-29-25-21-17-13-9-3;1-3-5-7-9-11-13-15-17-19-21-23-31-29-35(45-39(31)33-25-27-37(41)43-33)36-30-32(40(46-36)34-26-28-38(42)44-34)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-31-27-29-35-33(31)25-26-34-32(28-30-36-34)24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;1-15(2)22(16(3)4)25(21(13)14)26(23(17(5)6)18(7)8)24(19(9)10)20(11)12;;/h51-60H,7-50H2,1-6H3;25-30H,3-24H2,1-2H3;25-28H,3-24H2,1-2H3;6*1H3;1-14H2;;/b54-53+;;26-25+;;;;;;;;;
InChIKeyZFMOCQZKLQJCGP-PDHBSKAZSA-N
XLogP75.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds112
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003735.25
LogP ≤ 575.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane (CID 162105824) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane is CCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(-c3ccc(Br)s3)s2)sc1-c1ccc(Br)s1.CCCCCCCCCCCCc1cc(C)sc1/C=C/c1sc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3CCCCCCCCCCCC)s2)cc1CCCCCCCCCCCC.CCCCCCCCCCCCc1cc([Sn](C)(C)C)sc1/C=C/c1sc([Sn](C)(C)C)cc1CCCCCCCCCCCC.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.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane?
The InChIKey is ZFMOCQZKLQJCGP-PDHBSKAZSA-N. The full InChI is InChI=1S/C76H116S6.C40H56Br2S4.C34H54S2.6CH3.H28P26.2Sn/c1-7-11-15-19-23-27-31-35-39-43-47-63-57-62(6)78-67(63)53-54-68-64(48-44-40-36-32-28-24-20-16-12-8-2)58-72(79-68)69-55-56-71(80-69)76-66(50-46-42-38-34-30-26-22-18-14-10-4)60-74(82-76)73-59-65(75(81-73)70-52-51-61(5)77-70)49-45-41-37-33-29-25-21-17-13-9-3;1-3-5-7-9-11-13-15-17-19-21-23-31-29-35(45-39(31)33-25-27-37(41)43-33)36-30-32(40(46-36)34-26-28-38(42)44-34)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-31-27-29-35-33(31)25-26-34-32(28-30-36-34)24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;1-15(2)22(16(3)4)25(21(13)14)26(23(17(5)6)18(7)8)24(19(9)10)20(11)12;;/h51-60H,7-50H2,1-6H3;25-30H,3-24H2,1-2H3;25-28H,3-24H2,1-2H3;6*1H3;1-14H2;;/b54-53+;;26-25+;;;;;;;;;.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane has a molecular weight of 3735.25 g/mol, XLogP of 75.64, 112 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-dodecylthiophen-2-yl]-3-dodecylthiophene;3-dodecyl-2-[(E)-2-[3-dodecyl-5-[5-[3-dodecyl-5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene;[4-dodecyl-5-[(E)-2-(3-dodecyl-5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 162105824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).