bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine

C29H19Br2N2PS11 — CID 157232853

IUPACbis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine
SMILESBrc1cccc(C2(c3cccc(Br)n3)c3ccccc3P(c3ccccc3)c3ccccc32)n1.S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C29H19Br2N2P.S11/c30-27-18-8-16-25(32-27)29(26-17-9-19-28(31)33-26)21-12-4-6-14-23(21)34(20-10-2-1-3-11-20)24-15-7-5-13-22(24)29;1-3-5-7-9-11-10-8-6-4-2/h1-19H;
InChIKeyAUHJOKNJEWOZBY-UHFFFAOYSA-N
MW939.00 g/mol
LogP6.43
Rot. Bonds3

About bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine

bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine (PubChem CID 157232853) has the molecular formula C29H19Br2N2PS11 and a molecular weight of 939.00 g/mol. Its IUPAC name is bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine.

Molecular Properties

Compound Namebis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine
PubChem CID157232853
Molecular FormulaC29H19Br2N2PS11
Molecular Weight939.00 g/mol
Exact Mass935.66
IUPAC Namebis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine
SMILESBrc1cccc(C2(c3cccc(Br)n3)c3ccccc3P(c3ccccc3)c3ccccc32)n1.S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C29H19Br2N2P.S11/c30-27-18-8-16-25(32-27)29(26-17-9-19-28(31)33-26)21-12-4-6-14-23(21)34(20-10-2-1-3-11-20)24-15-7-5-13-22(24)29;1-3-5-7-9-11-10-8-6-4-2/h1-19H;
InChIKeyAUHJOKNJEWOZBY-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.00
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine
CID 90268709
9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
CID 123742097
9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
CID 121295185
2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]
CID 146519523
4,12-dibromo-8,8-diphenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58516855
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]
CID 146519512
1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane
CID 143811947
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
CID 166511751
4,4-diethyl-1-phenylphosphinoline
CID 132604575

Frequently Asked Questions

What is the IUPAC name of bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine?
The IUPAC name of bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine (CID 157232853) is bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine.
What is the SMILES notation for bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine?
The canonical SMILES for bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine is Brc1cccc(C2(c3cccc(Br)n3)c3ccccc3P(c3ccccc3)c3ccccc32)n1.S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine?
The InChIKey is AUHJOKNJEWOZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Br2N2P.S11/c30-27-18-8-16-25(32-27)29(26-17-9-19-28(31)33-26)21-12-4-6-14-23(21)34(20-10-2-1-3-11-20)24-15-7-5-13-22(24)29;1-3-5-7-9-11-10-8-6-4-2/h1-19H;.
What are the key properties of bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine?
bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine has a molecular weight of 939.00 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine is sourced from PubChem (CID 157232853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).