2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin

C76H62N10O2Ru+2 — CID 52914136

IUPAC2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin
SMILESC1=Cc2c(c3c(c4[nH]c(-c5ccc(OCCCOc6ccc(/C7=C8\C=CC(N8)/C(c8ccccc8)=c8/cc/c([nH]8)=C(\c8ccccc8)C8C=C/C(=C(\c9ccccc9)c9ccc7[nH]9)N8)cc6)cc5)nc24)C=CCN3)NC1.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C66H54N8O2.C10H8N2.Ru/c1-4-13-41(14-5-1)58-50-29-31-52(69-50)59(42-15-6-2-7-16-42)54-33-35-56(71-54)61(57-36-34-55(72-57)60(43-17-8-3-9-18-43)53-32-30-51(58)70-53)44-21-25-46(26-22-44)75-39-12-40-76-47-27-23-45(24-28-47)66-73-64-48-19-10-37-67-62(48)63-49(65(64)74-66)20-11-38-68-63;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11,13-36,50,55,67-72H,12,37-40H2,(H,73,74);1-8H;/q;;+2/b58-51-,59-52-,60-53-,61-57-;;
InChIKeyKVSPSWSPWSOQFU-JSTOIWRXSA-N
MW1248.47 g/mol
LogP13.44
Rot. Bonds12

About 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin

2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin (PubChem CID 52914136) has the molecular formula C76H62N10O2Ru+2 and a molecular weight of 1248.47 g/mol. Its IUPAC name is 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin.

Molecular Properties

Compound Name2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin
PubChem CID52914136
Molecular FormulaC76H62N10O2Ru+2
Molecular Weight1248.47 g/mol
Exact Mass1248.41
IUPAC Name2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin
SMILESC1=Cc2c(c3c(c4[nH]c(-c5ccc(OCCCOc6ccc(/C7=C8\C=CC(N8)/C(c8ccccc8)=c8/cc/c([nH]8)=C(\c8ccccc8)C8C=C/C(=C(\c9ccccc9)c9ccc7[nH]9)N8)cc6)cc5)nc24)C=CCN3)NC1.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C66H54N8O2.C10H8N2.Ru/c1-4-13-41(14-5-1)58-50-29-31-52(69-50)59(42-15-6-2-7-16-42)54-33-35-56(71-54)61(57-36-34-55(72-57)60(43-17-8-3-9-18-43)53-32-30-51(58)70-53)44-21-25-46(26-22-44)75-39-12-40-76-47-27-23-45(24-28-47)66-73-64-48-19-10-37-67-62(48)63-49(65(64)74-66)20-11-38-68-63;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11,13-36,50,55,67-72H,12,37-40H2,(H,73,74);1-8H;/q;;+2/b58-51-,59-52-,60-53-,61-57-;;
InChIKeyKVSPSWSPWSOQFU-JSTOIWRXSA-N
XLogP13.44
TPSA152.62 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.47
LogP ≤ 513.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin with MolForge

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Related Compounds

(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin
CID 52914137
4-[(1Z,5Z,9Z,14Z)-10,15,20-tris(4-hydroxyphenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenol
CID 3001854
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
(4Z,10Z,15Z,19Z)-5,15,20-tris(5-bromo-3-pyridinyl)-10-pyren-1-yl-1,14,21,22,23,24-hexahydroporphyrin
CID 87530513
zinc 2-[(1Z,5Z,9Z,14Z)-10,15-bis(2-hydroxyphenyl)-20-(2-oxidophenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate
CID 3001849
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
(1Z,7Z,12Z,17Z,21Z,26E)-7,17,27-tris(2,3,4,5,6-pentafluorophenyl)-2,12,22-tris(2,4,6-trimethoxyphenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,5,7,9,11(35),12,14,16(34),17,19,21,23(32),24,26,29-hexadecaene
CID 177399686

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin?
The IUPAC name of 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin (CID 52914136) is 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin.
What is the SMILES notation for 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin?
The canonical SMILES for 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin is C1=Cc2c(c3c(c4[nH]c(-c5ccc(OCCCOc6ccc(/C7=C8\C=CC(N8)/C(c8ccccc8)=c8/cc/c([nH]8)=C(\c8ccccc8)C8C=C/C(=C(\c9ccccc9)c9ccc7[nH]9)N8)cc6)cc5)nc24)C=CCN3)NC1.[Ru+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin?
The InChIKey is KVSPSWSPWSOQFU-JSTOIWRXSA-N. The full InChI is InChI=1S/C66H54N8O2.C10H8N2.Ru/c1-4-13-41(14-5-1)58-50-29-31-52(69-50)59(42-15-6-2-7-16-42)54-33-35-56(71-54)61(57-36-34-55(72-57)60(43-17-8-3-9-18-43)53-32-30-51(58)70-53)44-21-25-46(26-22-44)75-39-12-40-76-47-27-23-45(24-28-47)66-73-64-48-19-10-37-67-62(48)63-49(65(64)74-66)20-11-38-68-63;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11,13-36,50,55,67-72H,12,37-40H2,(H,73,74);1-8H;/q;;+2/b58-51-,59-52-,60-53-,61-57-;;.
What are the key properties of 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin?
2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin has a molecular weight of 1248.47 g/mol, XLogP of 13.44, 12 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin is sourced from PubChem (CID 52914136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).