argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid

C184H164Ar4BO3P3S2 — CID 163573332

IUPACargon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid
SMILESC1CCCCC1.C=CC(CCC/C=C/CCC(CCC(CC)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1)c1ccccc1)CCC(CCC(C)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1)c1ccccc1.C=CC=C.C=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1.C=Cc1ccccc1.S=BS.[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C121H106O2P2.C45H31OP.C8H8.C6H12.C4H6.4Ar.BHS2/c1-4-86(60-62-93(90-40-19-10-20-41-90)61-59-85(3)88-64-67-94(68-65-88)96-73-77-108-104-51-29-33-55-112(104)120(116(108)81-96)114-57-35-31-53-106(114)110-79-75-102(83-118(110)120)124(122,98-43-21-11-22-44-98)99-45-23-12-24-46-99)37-15-7-6-8-16-42-91(89-38-17-9-18-39-89)66-63-87(5-2)92-69-71-95(72-70-92)97-74-78-109-105-52-30-34-56-113(105)121(117(109)82-97)115-58-36-32-54-107(115)111-80-76-103(84-119(111)121)125(123,100-47-25-13-26-48-100)101-49-27-14-28-50-101;1-2-31-21-23-32(24-22-31)33-25-27-39-37-17-9-11-19-41(37)45(43(39)29-33)42-20-12-10-18-38(42)40-28-26-36(30-44(40)45)47(46,34-13-5-3-6-14-34)35-15-7-4-8-16-35;1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-3-4-2;;;;;2-1-3/h4,6,8-14,17-36,38-41,43-58,64-65,67-87,91,93H,1,5,7,15-16,37,42,59-63,66H2,2-3H3;2-30H,1H2;2-7H,1H2;1-6H2;3-4H,1-2H2;;;;;2H/b8-6+;;;;;;;;;
InChIKeyGBHAEFVVTMJJTO-LBXRUGKCSA-N
MW2750.99 g/mol
LogP46.16
Rot. Bonds37

About argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid

argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid (PubChem CID 163573332) has the molecular formula C184H164Ar4BO3P3S2 and a molecular weight of 2750.99 g/mol. Its IUPAC name is argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid.

Molecular Properties

Compound Nameargon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid
PubChem CID163573332
Molecular FormulaC184H164Ar4BO3P3S2
Molecular Weight2750.99 g/mol
Exact Mass2748.99
IUPAC Nameargon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid
SMILESC1CCCCC1.C=CC(CCC/C=C/CCC(CCC(CC)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1)c1ccccc1)CCC(CCC(C)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1)c1ccccc1.C=CC=C.C=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1.C=Cc1ccccc1.S=BS.[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C121H106O2P2.C45H31OP.C8H8.C6H12.C4H6.4Ar.BHS2/c1-4-86(60-62-93(90-40-19-10-20-41-90)61-59-85(3)88-64-67-94(68-65-88)96-73-77-108-104-51-29-33-55-112(104)120(116(108)81-96)114-57-35-31-53-106(114)110-79-75-102(83-118(110)120)124(122,98-43-21-11-22-44-98)99-45-23-12-24-46-99)37-15-7-6-8-16-42-91(89-38-17-9-18-39-89)66-63-87(5-2)92-69-71-95(72-70-92)97-74-78-109-105-52-30-34-56-113(105)121(117(109)82-97)115-58-36-32-54-107(115)111-80-76-103(84-119(111)121)125(123,100-47-25-13-26-48-100)101-49-27-14-28-50-101;1-2-31-21-23-32(24-22-31)33-25-27-39-37-17-9-11-19-41(37)45(43(39)29-33)42-20-12-10-18-38(42)40-28-26-36(30-44(40)45)47(46,34-13-5-3-6-14-34)35-15-7-4-8-16-35;1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-3-4-2;;;;;2-1-3/h4,6,8-14,17-36,38-41,43-58,64-65,67-87,91,93H,1,5,7,15-16,37,42,59-63,66H2,2-3H3;2-30H,1H2;2-7H,1H2;1-6H2;3-4H,1-2H2;;;;;2H/b8-6+;;;;;;;;;
InChIKeyGBHAEFVVTMJJTO-LBXRUGKCSA-N
XLogP46.16
TPSA51.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds37
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002750.99
LogP ≤ 546.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid with MolForge

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Related Compounds

1-[4-[(E)-8-ethenyl-5,16-diphenyl-19-(4-pyren-1-ylphenyl)henicos-12-en-2-yl]phenyl]pyrene
CID 171726145
10-[4-[4-[(E)-19-[4-[4-(2'-cyano-7'-isocyanospiro[acridine-9,9'-fluorene]-10-yl)phenyl]phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]phenyl]-7'-isocyanospiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 171726150
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
9-[(E)-2-[4-[4-(8-ethenyl-5-phenyldodecan-2-yl)phenyl]phenyl]ethenyl]-10-[(E)-2-phenylethenyl]anthracene
CID 162506197
(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
CID 173200761
4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 177116950
3-(6-ethenyl-2,12-diphenyltetradec-9-en-4-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 170686978
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483754
2'-diphenylphosphoryl-4'-methyl-9,9'-spirobi[fluorene]
CID 123272596
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420

Frequently Asked Questions

What is the IUPAC name of argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid?
The IUPAC name of argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid (CID 163573332) is argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid.
What is the SMILES notation for argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid?
The canonical SMILES for argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid is C1CCCCC1.C=CC(CCC/C=C/CCC(CCC(CC)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1)c1ccccc1)CCC(CCC(C)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1)c1ccccc1.C=CC=C.C=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc32)cc1.C=Cc1ccccc1.S=BS.[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid?
The InChIKey is GBHAEFVVTMJJTO-LBXRUGKCSA-N. The full InChI is InChI=1S/C121H106O2P2.C45H31OP.C8H8.C6H12.C4H6.4Ar.BHS2/c1-4-86(60-62-93(90-40-19-10-20-41-90)61-59-85(3)88-64-67-94(68-65-88)96-73-77-108-104-51-29-33-55-112(104)120(116(108)81-96)114-57-35-31-53-106(114)110-79-75-102(83-118(110)120)124(122,98-43-21-11-22-44-98)99-45-23-12-24-46-99)37-15-7-6-8-16-42-91(89-38-17-9-18-39-89)66-63-87(5-2)92-69-71-95(72-70-92)97-74-78-109-105-52-30-34-56-113(105)121(117(109)82-97)115-58-36-32-54-107(115)111-80-76-103(84-119(111)121)125(123,100-47-25-13-26-48-100)101-49-27-14-28-50-101;1-2-31-21-23-32(24-22-31)33-25-27-39-37-17-9-11-19-41(37)45(43(39)29-33)42-20-12-10-18-38(42)40-28-26-36(30-44(40)45)47(46,34-13-5-3-6-14-34)35-15-7-4-8-16-35;1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-3-4-2;;;;;2-1-3/h4,6,8-14,17-36,38-41,43-58,64-65,67-87,91,93H,1,5,7,15-16,37,42,59-63,66H2,2-3H3;2-30H,1H2;2-7H,1H2;1-6H2;3-4H,1-2H2;;;;;2H/b8-6+;;;;;;;;;.
What are the key properties of argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid?
argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid has a molecular weight of 2750.99 g/mol, XLogP of 46.16, 37 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for argon;buta-1,3-diene;cyclohexane;2'-diphenylphosphoryl-2-[4-[(E)-19-[4-(2'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-ethenyl-5,16-diphenylhenicos-12-en-2-yl]phenyl]-9,9'-spirobi[fluorene];2'-diphenylphosphoryl-2-(4-ethenylphenyl)-9,9'-spirobi[fluorene];styrene;sulfanylideneborinothioic acid is sourced from PubChem (CID 163573332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).