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

C266H202N50O28Ru6S14 — CID 160533838

About 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

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 (PubChem CID 160533838) has the molecular formula C266H202N50O28Ru6S14 and a molecular weight of 5602.22 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160533838
• Molecular Formula: C266H202N50O28Ru6S14
• Molecular Weight: 5602.22 g/mol
• Exact Mass: 5602.63
• IUPAC Name: 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
• SMILES: CCCCN(CCCC)c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccc(N(CCCC)CCCC)cc6)c5cn4)ncc32)cc1.Cc1ccc(Cn2c3ccccc3c3cc(-c4nccc5c6ccccc6n(Cc6ccc(C)s6)c45)ncc32)s1.Cn1c2ccccc2c2cc(-c3cc4c5ccccc5n(C)c4cn3)ncc21.Cn1c2ccccc2c2cc(-c3cc4c5ccccc5n(C)c4cn3)ncc21.Cn1c2ccccc2c2cc(-c3cc4c5ccccc5n(CC(=O)O)c4cn3)ncc21.Cn1c2ccccc2c2cc(-c3nccc4c5ccccc5n(C)c34)ncc21.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.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.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
• InChI: InChI=1S/C50H56N6.C34H26N4S2.C25H18N4O2.3C24H18N4.6C11H8N2O2.12CNS.7CO2.6Ru/c1-5-9-29-53(30-10-6-2)37-21-25-39(26-22-37)55-47-19-15-13-17-41(47)43-33-45(51-35-49(43)55)46-34-44-42-18-14-16-20-48(42)56(50(44)36-52-46)40-27-23-38(24-28-40)54(31-11-7-3)32-12-8-4;1-21-11-13-23(39-21)19-37-30-9-5-4-8-26(30)28-17-29(36-18-32(28)37)33-34-27(15-16-35-33)25-7-3-6-10-31(25)38(34)20-24-14-12-22(2)40-24;1-28-21-8-4-2-6-15(21)17-10-19(26-12-23(17)28)20-11-18-16-7-3-5-9-22(16)29(14-25(30)31)24(18)13-27-20;1-27-20-9-5-4-8-16(20)18-13-19(26-14-22(18)27)23-24-17(11-12-25-23)15-7-3-6-10-21(15)28(24)2;2*1-27-21-9-5-3-7-15(21)17-11-19(25-13-23(17)27)20-12-18-16-8-4-6-10-22(16)28(2)24(18)14-26-20;6*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;19*2-1-3;;;;;;/h13-28,33-36H,5-12,29-32H2,1-4H3;3-18H,19-20H2,1-2H3;2-13H,14H2,1H3,(H,30,31);3*3-14H,1-2H3;6*1-7H,(H,14,15);;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;6*+2
• InChIKey: QVWZFUAQZRKAEA-UHFFFAOYSA-N
• XLogP: 58.48
• TPSA: 1142.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 73
• Rotatable Bonds: 40
• Heavy Atoms: 364
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5602.22
LogP ≤ 5	58.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCN(CCCC)c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccc(N(CCCC)CCCC)cc6)c5cn4)ncc32)cc1.Cc1ccc(Cn2c3ccccc3c3cc(-c4nccc5c6ccccc6n(Cc6ccc(C)s6)c45)ncc32)s1.Cn1c2ccccc2c2cc(-c3cc4c5ccccc5n(C)c4cn3)ncc21.Cn1c2ccccc2c2cc(-c3cc4c5ccccc5n(C)c4cn3)ncc21.Cn1c2ccccc2c2cc(-c3cc4c5ccccc5n(CC(=O)O)c4cn3)ncc21.Cn1c2ccccc2c2cc(-c3nccc4c5ccccc5n(C)c34)ncc21.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.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.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2].

What is the InChIKey of 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?

The InChIKey is QVWZFUAQZRKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56N6.C34H26N4S2.C25H18N4O2.3C24H18N4.6C11H8N2O2.12CNS.7CO2.6Ru/c1-5-9-29-53(30-10-6-2)37-21-25-39(26-22-37)55-47-19-15-13-17-41(47)43-33-45(51-35-49(43)55)46-34-44-42-18-14-16-20-48(42)56(50(44)36-52-46)40-27-23-38(24-28-40)54(31-11-7-3)32-12-8-4;1-21-11-13-23(39-21)19-37-30-9-5-4-8-26(30)28-17-29(36-18-32(28)37)33-34-27(15-16-35-33)25-7-3-6-10-31(25)38(34)20-24-14-12-22(2)40-24;1-28-21-8-4-2-6-15(21)17-10-19(26-12-23(17)28)20-11-18-16-7-3-5-9-22(16)29(14-25(30)31)24(18)13-27-20;1-27-20-9-5-4-8-16(20)18-13-19(26-14-22(18)27)23-24-17(11-12-25-23)15-7-3-6-10-21(15)28(24)2;2*1-27-21-9-5-3-7-15(21)17-11-19(25-13-23(17)27)20-12-18-16-8-4-6-10-22(16)28(2)24(18)14-26-20;6*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;19*2-1-3;;;;;;/h13-28,33-36H,5-12,29-32H2,1-4H3;3-18H,19-20H2,1-2H3;2-13H,14H2,1H3,(H,30,31);3*3-14H,1-2H3;6*1-7H,(H,14,15);;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;6*+2.

What are the key properties of 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?

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 has a molecular weight of 5602.22 g/mol, XLogP of 58.48, 40 rotatable bonds, 7 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160533838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).