nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate

C246H246N34O20Ru4S8 — CID 160778201

IUPACnonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate
SMILESCCCCN(CCCC)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccn3)c2)cc1.CCCCN(CCCC)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(N(CCCC)CCCC)cc6)c6ccc(N(CCCC)CCCC)cc6)cc5)ccn4)c3)cc2)c2ccc(N(CCCC)CCCC)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)ccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C82H106N8.C54H46N4.C42H54N4.C11H8N2O2.4C10H8N2.8CNS.9CO2.4Ru/c1-9-17-57-85(58-18-10-2)71-37-45-77(46-38-71)89(78-47-39-72(40-48-78)86(59-19-11-3)60-20-12-4)75-33-29-67(30-34-75)25-27-69-53-55-83-81(65-69)82-66-70(54-56-84-82)28-26-68-31-35-76(36-32-68)90(79-49-41-73(42-50-79)87(61-21-13-5)62-22-14-6)80-51-43-74(44-52-80)88(63-23-15-7)64-24-16-8;1-39-5-21-47(22-6-39)57(48-23-7-40(2)8-24-48)51-29-17-43(18-30-51)13-15-45-33-35-55-53(37-45)54-38-46(34-36-56-54)16-14-44-19-31-52(32-20-44)58(49-25-9-41(3)10-26-49)50-27-11-42(4)12-28-50;1-5-9-29-45(30-10-6-2)39-21-17-35(18-22-39)13-15-37-25-27-43-41(33-37)42-34-38(26-28-44-42)16-14-36-19-23-40(24-20-36)46(31-11-7-3)32-12-8-4;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;17*2-1-3;;;;/h25-56,65-66H,9-24,57-64H2,1-8H3;5-38H,1-4H3;13-28,33-34H,5-12,29-32H2,1-4H3;1-7H,(H,14,15);4*1-8H;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;8*-1;;;;;;;;;;4*+2/b27-25+,28-26+;2*15-13+,16-14+;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeySAFPIGHOOCBADE-RYDGZYKPSA-N
MW4659.71 g/mol
LogP59.43
Rot. Bonds75

About nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate

nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate (PubChem CID 160778201) has the molecular formula C246H246N34O20Ru4S8 and a molecular weight of 4659.71 g/mol. Its IUPAC name is nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate.

Molecular Properties

Compound Namenonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate
PubChem CID160778201
Molecular FormulaC246H246N34O20Ru4S8
Molecular Weight4659.71 g/mol
Exact Mass4659.32
IUPAC Namenonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate
SMILESCCCCN(CCCC)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccn3)c2)cc1.CCCCN(CCCC)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(N(CCCC)CCCC)cc6)c6ccc(N(CCCC)CCCC)cc6)cc5)ccn4)c3)cc2)c2ccc(N(CCCC)CCCC)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)ccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C82H106N8.C54H46N4.C42H54N4.C11H8N2O2.4C10H8N2.8CNS.9CO2.4Ru/c1-9-17-57-85(58-18-10-2)71-37-45-77(46-38-71)89(78-47-39-72(40-48-78)86(59-19-11-3)60-20-12-4)75-33-29-67(30-34-75)25-27-69-53-55-83-81(65-69)82-66-70(54-56-84-82)28-26-68-31-35-76(36-32-68)90(79-49-41-73(42-50-79)87(61-21-13-5)62-22-14-6)80-51-43-74(44-52-80)88(63-23-15-7)64-24-16-8;1-39-5-21-47(22-6-39)57(48-23-7-40(2)8-24-48)51-29-17-43(18-30-51)13-15-45-33-35-55-53(37-45)54-38-46(34-36-56-54)16-14-44-19-31-52(32-20-44)58(49-25-9-41(3)10-26-49)50-27-11-42(4)12-28-50;1-5-9-29-45(30-10-6-2)39-21-17-35(18-22-39)13-15-37-25-27-43-41(33-37)42-34-38(26-28-44-42)16-14-36-19-23-40(24-20-36)46(31-11-7-3)32-12-8-4;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;17*2-1-3;;;;/h25-56,65-66H,9-24,57-64H2,1-8H3;5-38H,1-4H3;13-28,33-34H,5-12,29-32H2,1-4H3;1-7H,(H,14,15);4*1-8H;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;8*-1;;;;;;;;;;4*+2/b27-25+,28-26+;2*15-13+,16-14+;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeySAFPIGHOOCBADE-RYDGZYKPSA-N
XLogP59.43
TPSA761.60 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds75
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004659.71
LogP ≤ 559.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Analyze nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate with MolForge

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Related Compounds

2-[4-[(E)-2-[4-[4-(N-phenylanilino)phenoxy]phenyl]ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 89375182
bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;bis(ruthenium(2+));tetraisothiocyanate
CID 159959757
2-[6-[4-[(E)-2-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]ethenyl]-6-[4-[(E)-2-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid;tris(carbon dioxide);2-[6-[6-[4-[(E)-2-[4-(dimethylamino)-2-methylphenyl]ethenyl]-2-pyridinyl]-4-[(E)-2-[2-hexoxy-4-(methylaminomethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid;2-[6-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)anilino)phenyl]ethenyl]-6-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid;tris(ruthenium(2+));hexaisothiocyanate
CID 157152454
2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
CID 126729562
bis(2-[4-(diethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 58965484
N,N-dibutyl-4-[(1E,3E)-4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]buta-1,3-dienyl]aniline
CID 101378722
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;10-[4-[(E)-2-[2-[4-[(E)-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-9,9-dimethylacridine;ruthenium(2+);diisothiocyanate
CID 145155865
N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
CID 69478350
heptakis(carbon dioxide);N,N-dibutyl-4-[3-[9-[4-(dibutylamino)phenyl]pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]aniline;9-methyl-1-(9-methylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole;bis(9-methyl-3-(9-methylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indole);2-[3-(9-methylpyrido[3,4-b]indol-3-yl)pyrido[3,4-b]indol-9-yl]acetic acid;9-[(5-methylthiophen-2-yl)methyl]-1-[9-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole;hexakis(2-pyridin-2-ylpyridine-4-carboxylic acid);hexakis(ruthenium(2+));dodecaisothiocyanate
CID 160533838
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-hexadecoxy-2-(4-hexadecoxy-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 145025270
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-pentadecoxy-2-(4-pentadecoxy-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 145025302
4-[(E)-2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 156734947

Frequently Asked Questions

What is the IUPAC name of nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate?
The IUPAC name of nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate (CID 160778201) is nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate.
What is the SMILES notation for nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate?
The canonical SMILES for nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate is CCCCN(CCCC)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccn3)c2)cc1.CCCCN(CCCC)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(N(CCCC)CCCC)cc6)c6ccc(N(CCCC)CCCC)cc6)cc5)ccn4)c3)cc2)c2ccc(N(CCCC)CCCC)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)ccn4)c3)cc2)cc1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate?
The InChIKey is SAFPIGHOOCBADE-RYDGZYKPSA-N. The full InChI is InChI=1S/C82H106N8.C54H46N4.C42H54N4.C11H8N2O2.4C10H8N2.8CNS.9CO2.4Ru/c1-9-17-57-85(58-18-10-2)71-37-45-77(46-38-71)89(78-47-39-72(40-48-78)86(59-19-11-3)60-20-12-4)75-33-29-67(30-34-75)25-27-69-53-55-83-81(65-69)82-66-70(54-56-84-82)28-26-68-31-35-76(36-32-68)90(79-49-41-73(42-50-79)87(61-21-13-5)62-22-14-6)80-51-43-74(44-52-80)88(63-23-15-7)64-24-16-8;1-39-5-21-47(22-6-39)57(48-23-7-40(2)8-24-48)51-29-17-43(18-30-51)13-15-45-33-35-55-53(37-45)54-38-46(34-36-56-54)16-14-44-19-31-52(32-20-44)58(49-25-9-41(3)10-26-49)50-27-11-42(4)12-28-50;1-5-9-29-45(30-10-6-2)39-21-17-35(18-22-39)13-15-37-25-27-43-41(33-37)42-34-38(26-28-44-42)16-14-36-19-23-40(24-20-36)46(31-11-7-3)32-12-8-4;14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;17*2-1-3;;;;/h25-56,65-66H,9-24,57-64H2,1-8H3;5-38H,1-4H3;13-28,33-34H,5-12,29-32H2,1-4H3;1-7H,(H,14,15);4*1-8H;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;8*-1;;;;;;;;;;4*+2/b27-25+,28-26+;2*15-13+,16-14+;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate?
nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate has a molecular weight of 4659.71 g/mol, XLogP of 59.43, 75 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(carbon dioxide);1-N,1-N-dibutyl-4-N-[4-[(E)-2-[2-[4-[(E)-2-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;N,N-dibutyl-4-[(E)-2-[2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline;4-methyl-N-[4-[(E)-2-[2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;tetrakis(2-pyridin-2-ylpyridine);2-pyridin-2-ylpyridine-4-carboxylic acid;tetrakis(ruthenium(2+));octaisothiocyanate is sourced from PubChem (CID 160778201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).