(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

C66H54N8O2 — CID 52914137

IUPAC(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
InChIInChI=1S/C66H54N8O2/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/h1-11,13-36,50,55,67-72H,12,37-40H2,(H,73,74)/b58-51-,59-52-,60-53-,61-57-
InChIKeyUZNOQBWJIJJIDO-RKEYBTIUSA-N
MW991.21 g/mol
LogP11.30
Rot. Bonds11

About (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

(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 52914137) has the molecular formula C66H54N8O2 and a molecular weight of 991.21 g/mol. Its IUPAC name is (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 Name(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 CID52914137
Molecular FormulaC66H54N8O2
Molecular Weight991.21 g/mol
Exact Mass990.44
IUPAC Name(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
InChIInChI=1S/C66H54N8O2/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/h1-11,13-36,50,55,67-72H,12,37-40H2,(H,73,74)/b58-51-,59-52-,60-53-,61-57-
InChIKeyUZNOQBWJIJJIDO-RKEYBTIUSA-N
XLogP11.30
TPSA126.84 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500991.21
LogP ≤ 511.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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

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
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
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
4-[10-[4-(3-aminopropoxy)phenyl]-15-(4-cyanophenyl)-20-(4-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzonitrile
CID 123617430
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
trimethyl-[3-[4-[10-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-15,20-bis(4-undecoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 162194535
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
CID 110535345

Frequently Asked Questions

What is the IUPAC name of (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 (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) is (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 (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 (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.
What is the InChIKey of (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 UZNOQBWJIJJIDO-RKEYBTIUSA-N. The full InChI is InChI=1S/C66H54N8O2/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/h1-11,13-36,50,55,67-72H,12,37-40H2,(H,73,74)/b58-51-,59-52-,60-53-,61-57-.
What are the key properties of (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?
(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 991.21 g/mol, XLogP of 11.30, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 52914137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).