dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide

C76H76Cu2N8O — CID 139263163

IUPACdicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide
SMILESCCC1=C(C)c2cc3[n-]c(cc4nc(c(-c5cccc6c5oc5c(-c7c8nc(cc9[n-]c(cc%10nc(cc%11[n-]c7c(CC)c%11C)C(CC)=C%10C)c(CC)c9C)C(CC)=C8C)cccc56)c5[n-]c(cc1n2)c(C)c5CC)C(C)=C4CC)c(C)c3CC.[Cu+2].[Cu+2]
InChIInChI=1S/C76H76N8O.2Cu/c1-17-45-39(11)59-33-67-49(21-5)43(15)71(83-67)69(73-51(23-7)41(13)61(81-73)35-65-47(19-3)37(9)57(77-65)31-63(45)79-59)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-72-44(16)50(22-6)68(84-72)34-60-40(12)46(18-2)64(80-60)32-58-38(10)48(20-4)66(78-58)36-62-42(14)52(24-8)74(70)82-62;;/h25-36H,17-24H2,1-16H3;;/q-4;2*+2/b57-31-,58-32-,59-33-,60-34-,61-35-,62-36-,63-31-,64-32-,65-35-,66-36-,67-33-,68-34-,71-69-,72-70-,73-69-,74-70-;;
InChIKeyYJPXFMKCFKKDAM-LPFNVIOMSA-N
MW1244.59 g/mol
LogP19.53
Rot. Bonds10

About dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide

dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide (PubChem CID 139263163) has the molecular formula C76H76Cu2N8O and a molecular weight of 1244.59 g/mol. Its IUPAC name is dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide.

Molecular Properties

Compound Namedicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide
PubChem CID139263163
Molecular FormulaC76H76Cu2N8O
Molecular Weight1244.59 g/mol
Exact Mass1242.47
IUPAC Namedicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide
SMILESCCC1=C(C)c2cc3[n-]c(cc4nc(c(-c5cccc6c5oc5c(-c7c8nc(cc9[n-]c(cc%10nc(cc%11[n-]c7c(CC)c%11C)C(CC)=C%10C)c(CC)c9C)C(CC)=C8C)cccc56)c5[n-]c(cc1n2)c(C)c5CC)C(C)=C4CC)c(C)c3CC.[Cu+2].[Cu+2]
InChIInChI=1S/C76H76N8O.2Cu/c1-17-45-39(11)59-33-67-49(21-5)43(15)71(83-67)69(73-51(23-7)41(13)61(81-73)35-65-47(19-3)37(9)57(77-65)31-63(45)79-59)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-72-44(16)50(22-6)68(84-72)34-60-40(12)46(18-2)64(80-60)32-58-38(10)48(20-4)66(78-58)36-62-42(14)52(24-8)74(70)82-62;;/h25-36H,17-24H2,1-16H3;;/q-4;2*+2/b57-31-,58-32-,59-33-,60-34-,61-35-,62-36-,63-31-,64-32-,65-35-,66-36-,67-33-,68-34-,71-69-,72-70-,73-69-,74-70-;;
InChIKeyYJPXFMKCFKKDAM-LPFNVIOMSA-N
XLogP19.53
TPSA121.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.59
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide?
The IUPAC name of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide (CID 139263163) is dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide.
What is the SMILES notation for dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide?
The canonical SMILES for dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide is CCC1=C(C)c2cc3[n-]c(cc4nc(c(-c5cccc6c5oc5c(-c7c8nc(cc9[n-]c(cc%10nc(cc%11[n-]c7c(CC)c%11C)C(CC)=C%10C)c(CC)c9C)C(CC)=C8C)cccc56)c5[n-]c(cc1n2)c(C)c5CC)C(C)=C4CC)c(C)c3CC.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide?
The InChIKey is YJPXFMKCFKKDAM-LPFNVIOMSA-N. The full InChI is InChI=1S/C76H76N8O.2Cu/c1-17-45-39(11)59-33-67-49(21-5)43(15)71(83-67)69(73-51(23-7)41(13)61(81-73)35-65-47(19-3)37(9)57(77-65)31-63(45)79-59)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-72-44(16)50(22-6)68(84-72)34-60-40(12)46(18-2)64(80-60)32-58-38(10)48(20-4)66(78-58)36-62-42(14)52(24-8)74(70)82-62;;/h25-36H,17-24H2,1-16H3;;/q-4;2*+2/b57-31-,58-32-,59-33-,60-34-,61-35-,62-36-,63-31-,64-32-,65-35-,66-36-,67-33-,68-34-,71-69-,72-70-,73-69-,74-70-;;.
What are the key properties of dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide?
dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide has a molecular weight of 1244.59 g/mol, XLogP of 19.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[6-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzofuran-4-yl]porphyrin-22,24-diide is sourced from PubChem (CID 139263163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).