5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium

C108H84N10+2 — CID 101236446

IUPAC5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium
SMILESCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CN4C=CC(=CC=C5C=CN(Cc6ccc(-c7c8nc(c(-c9ccc(C)cc9)c9nc(c(-c%10ccc(C)cc%10)c%10ccc([nH]%10)c(-c%10ccc(C)cc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)C=C5)C=C4)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=[NH+]3)/C(c3ccc(C)cc3)=C3/C=CC2=[NH+]3)cc1
InChIInChI=1S/C108H82N10/c1-67-7-25-77(26-8-67)101-85-41-45-89(109-85)103(79-29-11-69(3)12-30-79)93-49-53-97(113-93)107(98-54-50-94(114-98)104(90-46-42-86(101)110-90)80-31-13-70(4)14-32-80)83-37-21-75(22-38-83)65-117-61-57-73(58-62-117)19-20-74-59-63-118(64-60-74)66-76-23-39-84(40-24-76)108-99-55-51-95(115-99)105(81-33-15-71(5)16-34-81)91-47-43-87(111-91)102(78-27-9-68(2)10-28-78)88-44-48-92(112-88)106(96-52-56-100(108)116-96)82-35-17-72(6)18-36-82/h7-64,109,113H,65-66H2,1-6H3/p+2/b101-85-,101-86-,102-87-,102-88-,103-89-,103-93-,104-90-,104-94-,105-91-,105-95-,106-92-,106-96-,107-97-,107-98-,108-99-,108-100-
InChIKeyPVQLKSHWUNARDJ-QUPNLSBBSA-P
MW1521.93 g/mol
LogP21.58
Rot. Bonds13

About 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium

5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium (PubChem CID 101236446) has the molecular formula C108H84N10+2 and a molecular weight of 1521.93 g/mol. Its IUPAC name is 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium.

Molecular Properties

Compound Name5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium
PubChem CID101236446
Molecular FormulaC108H84N10+2
Molecular Weight1521.93 g/mol
Exact Mass1520.69
IUPAC Name5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium
SMILESCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CN4C=CC(=CC=C5C=CN(Cc6ccc(-c7c8nc(c(-c9ccc(C)cc9)c9nc(c(-c%10ccc(C)cc%10)c%10ccc([nH]%10)c(-c%10ccc(C)cc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)C=C5)C=C4)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=[NH+]3)/C(c3ccc(C)cc3)=C3/C=CC2=[NH+]3)cc1
InChIInChI=1S/C108H82N10/c1-67-7-25-77(26-8-67)101-85-41-45-89(109-85)103(79-29-11-69(3)12-30-79)93-49-53-97(113-93)107(98-54-50-94(114-98)104(90-46-42-86(101)110-90)80-31-13-70(4)14-32-80)83-37-21-75(22-38-83)65-117-61-57-73(58-62-117)19-20-74-59-63-118(64-60-74)66-76-23-39-84(40-24-76)108-99-55-51-95(115-99)105(81-33-15-71(5)16-34-81)91-47-43-87(111-91)102(78-27-9-68(2)10-28-78)88-44-48-92(112-88)106(96-52-56-100(108)116-96)82-35-17-72(6)18-36-82/h7-64,109,113H,65-66H2,1-6H3/p+2/b101-85-,101-86-,102-87-,102-88-,103-89-,103-93-,104-90-,104-94-,105-91-,105-95-,106-92-,106-96-,107-97-,107-98-,108-99-,108-100-
InChIKeyPVQLKSHWUNARDJ-QUPNLSBBSA-P
XLogP21.58
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001521.93
LogP ≤ 521.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium with MolForge

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Related Compounds

nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
CID 135508187
10,20-bis(4-methylphenyl)-5-(4-prop-2-enylphenyl)-15-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11411742
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
6-methoxy-14,19,24-tris(4-methoxyphenyl)-12,29,30-triaza-28-azoniaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1(28),2,4,6,8,10,13(31),14,16,18(30),19,21,23(29),24,26-pentadecaene
CID 10260194
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
(E)-1-(1-methyl-2-pyridinylidene)-3-(5,10,15,20-tetraphenylporphyrin-23-ium-2-yl)prop-2-en-1-ol
CID 137147525

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium?
The IUPAC name of 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium (CID 101236446) is 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium.
What is the SMILES notation for 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium?
The canonical SMILES for 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium is Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CN4C=CC(=CC=C5C=CN(Cc6ccc(-c7c8nc(c(-c9ccc(C)cc9)c9nc(c(-c%10ccc(C)cc%10)c%10ccc([nH]%10)c(-c%10ccc(C)cc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)C=C5)C=C4)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=[NH+]3)/C(c3ccc(C)cc3)=C3/C=CC2=[NH+]3)cc1.
What is the InChIKey of 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium?
The InChIKey is PVQLKSHWUNARDJ-QUPNLSBBSA-P. The full InChI is InChI=1S/C108H82N10/c1-67-7-25-77(26-8-67)101-85-41-45-89(109-85)103(79-29-11-69(3)12-30-79)93-49-53-97(113-93)107(98-54-50-94(114-98)104(90-46-42-86(101)110-90)80-31-13-70(4)14-32-80)83-37-21-75(22-38-83)65-117-61-57-73(58-62-117)19-20-74-59-63-118(64-60-74)66-76-23-39-84(40-24-76)108-99-55-51-95(115-99)105(81-33-15-71(5)16-34-81)91-47-43-87(111-91)102(78-27-9-68(2)10-28-78)88-44-48-92(112-88)106(96-52-56-100(108)116-96)82-35-17-72(6)18-36-82/h7-64,109,113H,65-66H2,1-6H3/p+2/b101-85-,101-86-,102-87-,102-88-,103-89-,103-93-,104-90-,104-94-,105-91-,105-95-,106-92-,106-96-,107-97-,107-98-,108-99-,108-100-.
What are the key properties of 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium?
5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium has a molecular weight of 1521.93 g/mol, XLogP of 21.58, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-methylphenyl)-20-[4-[[4-[2-[1-[[4-[10,15,20-tris(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]phenyl]methyl]-4-pyridinylidene]ethylidene]-1-pyridinyl]methyl]phenyl]porphyrin-22,23-diium is sourced from PubChem (CID 101236446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).