dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline

C124H135Cu2N9 — CID 59227195

IUPACdicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline
SMILESCCCCCCc1ccc(N(c2ccc(-c3c4nc(c(-c5c(C)cc(C)cc5C)c5[n-]c(cc6nc(c(-c7c(C)cc(C)cc7C)c7[n-]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)c2ccc(-c3c4nc(c(-c5c(C)cc(C)cc5C)c5[n-]c(cc6nc(c(-c7c(C)cc(C)cc7C)c7[n-]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/C124H135N9.2Cu/c1-30-39-40-41-42-85-43-49-88(50-44-85)133(89-51-45-86(46-52-89)107-121-95(35-6)81(26)117(129-121)109(103-69(14)55-65(10)56-70(103)15)113-77(22)91(31-2)99(125-113)63-100-92(32-3)78(23)114(126-100)110(104-71(16)57-66(11)58-72(104)17)118-82(27)96(36-7)122(107)130-118)90-53-47-87(48-54-90)108-123-97(37-8)83(28)119(131-123)111(105-73(18)59-67(12)60-74(105)19)115-79(24)93(33-4)101(127-115)64-102-94(34-5)80(25)116(128-102)112(106-75(20)61-68(13)62-76(106)21)120-84(29)98(38-9)124(108)132-120;;/h43-64H,30-42H2,1-29H3;;/q-4;2*+2/b99-63-,100-63-,101-64-,102-64-,113-109-,114-110-,115-111-,116-112-,117-109-,118-110-,119-111-,120-112-,121-107-,122-107-,123-108-,124-108-;;
InChIKeyYCLOCNBQISTCDX-LZBVSECZSA-N
MW1878.60 g/mol
LogP33.60
Rot. Bonds22

About dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline

dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline (PubChem CID 59227195) has the molecular formula C124H135Cu2N9 and a molecular weight of 1878.60 g/mol. Its IUPAC name is dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline.

Molecular Properties

Compound Namedicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline
PubChem CID59227195
Molecular FormulaC124H135Cu2N9
Molecular Weight1878.60 g/mol
Exact Mass1875.94
IUPAC Namedicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline
SMILESCCCCCCc1ccc(N(c2ccc(-c3c4nc(c(-c5c(C)cc(C)cc5C)c5[n-]c(cc6nc(c(-c7c(C)cc(C)cc7C)c7[n-]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)c2ccc(-c3c4nc(c(-c5c(C)cc(C)cc5C)c5[n-]c(cc6nc(c(-c7c(C)cc(C)cc7C)c7[n-]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/C124H135N9.2Cu/c1-30-39-40-41-42-85-43-49-88(50-44-85)133(89-51-45-86(46-52-89)107-121-95(35-6)81(26)117(129-121)109(103-69(14)55-65(10)56-70(103)15)113-77(22)91(31-2)99(125-113)63-100-92(32-3)78(23)114(126-100)110(104-71(16)57-66(11)58-72(104)17)118-82(27)96(36-7)122(107)130-118)90-53-47-87(48-54-90)108-123-97(37-8)83(28)119(131-123)111(105-73(18)59-67(12)60-74(105)19)115-79(24)93(33-4)101(127-115)64-102-94(34-5)80(25)116(128-102)112(106-75(20)61-68(13)62-76(106)21)120-84(29)98(38-9)124(108)132-120;;/h43-64H,30-42H2,1-29H3;;/q-4;2*+2/b99-63-,100-63-,101-64-,102-64-,113-109-,114-110-,115-111-,116-112-,117-109-,118-110-,119-111-,120-112-,121-107-,122-107-,123-108-,124-108-;;
InChIKeyYCLOCNBQISTCDX-LZBVSECZSA-N
XLogP33.60
TPSA111.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001878.60
LogP ≤ 533.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline with MolForge

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Related Compounds

zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]phenyl]methanol
CID 15973233
zinc 2,8,12,18-tetraethyl-5,15-bis(3-ethynylphenyl)-3,7,13,17-tetramethylporphyrin-22,24-diide
CID 10462737
zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethylporphyrin-22,24-diide
CID 11061997
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
zinc 5,15-bis[3-(8-bromooctoxy)phenyl]-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin-22,24-diide
CID 56954153
3-ethyl-N-[4-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-1-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 58050735
N,N-bis[3-(4-hexylphenyl)-4-methyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethylaniline
CID 144813748
N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline
CID 101458164
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
5-[4-(3,7-diethyl-13,17-dihexyl-2,8,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)phenyl]-3,7-diethyl-13,17-dihexyl-2,8,12,18-tetramethyl-21,23-dihydroporphyrin
CID 136717757

Frequently Asked Questions

What is the IUPAC name of dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline?
The IUPAC name of dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline (CID 59227195) is dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline.
What is the SMILES notation for dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline?
The canonical SMILES for dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline is CCCCCCc1ccc(N(c2ccc(-c3c4nc(c(-c5c(C)cc(C)cc5C)c5[n-]c(cc6nc(c(-c7c(C)cc(C)cc7C)c7[n-]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)c2ccc(-c3c4nc(c(-c5c(C)cc(C)cc5C)c5[n-]c(cc6nc(c(-c7c(C)cc(C)cc7C)c7[n-]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)cc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline?
The InChIKey is YCLOCNBQISTCDX-LZBVSECZSA-N. The full InChI is InChI=1S/C124H135N9.2Cu/c1-30-39-40-41-42-85-43-49-88(50-44-85)133(89-51-45-86(46-52-89)107-121-95(35-6)81(26)117(129-121)109(103-69(14)55-65(10)56-70(103)15)113-77(22)91(31-2)99(125-113)63-100-92(32-3)78(23)114(126-100)110(104-71(16)57-66(11)58-72(104)17)118-82(27)96(36-7)122(107)130-118)90-53-47-87(48-54-90)108-123-97(37-8)83(28)119(131-123)111(105-73(18)59-67(12)60-74(105)19)115-79(24)93(33-4)101(127-115)64-102-94(34-5)80(25)116(128-102)112(106-75(20)61-68(13)62-76(106)21)120-84(29)98(38-9)124(108)132-120;;/h43-64H,30-42H2,1-29H3;;/q-4;2*+2/b99-63-,100-63-,101-64-,102-64-,113-109-,114-110-,115-111-,116-112-,117-109-,118-110-,119-111-,120-112-,121-107-,122-107-,123-108-,124-108-;;.
What are the key properties of dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline?
dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline has a molecular weight of 1878.60 g/mol, XLogP of 33.60, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;4-hexyl-N,N-bis[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]phenyl]aniline is sourced from PubChem (CID 59227195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).