dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)

C161H131BBrK2N2O6P5S6 — CID 157282408

IUPACdipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)
SMILESBrc1ccc2sc3ccc(-c4cccc5c4Sc4ccccc4S5)cc3c2c1.CCCOC.O=CO[O-].OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.P.[H-].[K+].[K+].c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(-c6cccc7c6Sc6ccccc6S7)cc5c4c3)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H27NS3.C24H13BrS3.C18H16BNO2.4C18H15P.C4H10O.CH2O3.2K.H3P.H/c1-3-10-31(11-4-1)43(32-12-5-2-6-13-32)33-22-18-28(19-23-33)29-20-24-37-35(26-29)36-27-30(21-25-38(36)44-37)34-14-9-17-41-42(34)46-40-16-8-7-15-39(40)45-41;25-15-9-11-20-18(13-15)17-12-14(8-10-19(17)26-20)16-4-3-7-23-24(16)28-22-6-2-1-5-21(22)27-23;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-2;2-1-4-3;;;;/h1-27H;1-13H;1-14,21-22H;4*1-15H;3-4H2,1-2H3;1,3H;;;1H3;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeyAOXLXIDHGIGSGF-UHFFFAOYSA-M
MW2706.01 g/mol
LogP32.85
Rot. Bonds25

About dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)

dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane) (PubChem CID 157282408) has the molecular formula C161H131BBrK2N2O6P5S6 and a molecular weight of 2706.01 g/mol. Its IUPAC name is dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)
PubChem CID157282408
Molecular FormulaC161H131BBrK2N2O6P5S6
Molecular Weight2706.01 g/mol
Exact Mass2702.56
IUPAC Namedipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)
SMILESBrc1ccc2sc3ccc(-c4cccc5c4Sc4ccccc4S5)cc3c2c1.CCCOC.O=CO[O-].OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.P.[H-].[K+].[K+].c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(-c6cccc7c6Sc6ccccc6S7)cc5c4c3)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H27NS3.C24H13BrS3.C18H16BNO2.4C18H15P.C4H10O.CH2O3.2K.H3P.H/c1-3-10-31(11-4-1)43(32-12-5-2-6-13-32)33-22-18-28(19-23-33)29-20-24-37-35(26-29)36-27-30(21-25-38(36)44-37)34-14-9-17-41-42(34)46-40-16-8-7-15-39(40)45-41;25-15-9-11-20-18(13-15)17-12-14(8-10-19(17)26-20)16-4-3-7-23-24(16)28-22-6-2-1-5-21(22)27-23;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-2;2-1-4-3;;;;/h1-27H;1-13H;1-14,21-22H;4*1-15H;3-4H2,1-2H3;1,3H;;;1H3;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeyAOXLXIDHGIGSGF-UHFFFAOYSA-M
XLogP32.85
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.01
LogP ≤ 532.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)
CID 160538880
2,8-bis(3-phenylphenyl)dibenzothiophene;2,8-dibromodibenzothiophene;(3-phenylphenyl)boronic acid
CID 160866408
[4-(N-dibenzothiophen-2-yl-3-phenylanilino)phenyl]boronic acid
CID 170776675
7-bromo-20,24-diphenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;N-[4-(20,24-diphenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-7-yl)phenyl]-N,4-diphenylaniline;methane;[4-(N-(4-phenylphenyl)anilino)phenyl]boronic acid
CID 159255553
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzothiophene;3-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline;[3-(N-phenylanilino)phenyl]boronic acid
CID 157051154
8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine
CID 170283744
N,4-diphenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 160840517
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 171410445
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane) (CID 157282408) is dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane) is Brc1ccc2sc3ccc(-c4cccc5c4Sc4ccccc4S5)cc3c2c1.CCCOC.O=CO[O-].OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.P.[H-].[K+].[K+].c1ccc(N(c2ccccc2)c2ccc(-c3ccc4sc5ccc(-c6cccc7c6Sc6ccccc6S7)cc5c4c3)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)?
The InChIKey is AOXLXIDHGIGSGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C42H27NS3.C24H13BrS3.C18H16BNO2.4C18H15P.C4H10O.CH2O3.2K.H3P.H/c1-3-10-31(11-4-1)43(32-12-5-2-6-13-32)33-22-18-28(19-23-33)29-20-24-37-35(26-29)36-27-30(21-25-38(36)44-37)34-14-9-17-41-42(34)46-40-16-8-7-15-39(40)45-41;25-15-9-11-20-18(13-15)17-12-14(8-10-19(17)26-20)16-4-3-7-23-24(16)28-22-6-2-1-5-21(22)27-23;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-2;2-1-4-3;;;;/h1-27H;1-13H;1-14,21-22H;4*1-15H;3-4H2,1-2H3;1,3H;;;1H3;/q;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane)?
dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane) has a molecular weight of 2706.01 g/mol, XLogP of 32.85, 25 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-(8-bromodibenzothiophen-2-yl)thianthrene;N,N-diphenyl-4-(8-thianthren-1-yldibenzothiophen-2-yl)aniline;hydride;1-methoxypropane;oxido formate;[4-(N-phenylanilino)phenyl]boronic acid;phosphane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157282408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).