5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin

C88H66N8 — CID 102214852

IUPAC5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(-c5c6nc(c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7nc(c(-c8ccc(C)cc8)c8ccc5[nH]8)C=C7)C=C6)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C88H66N8/c1-51-7-19-57(20-8-51)81-65-35-39-69(89-65)83(59-23-11-53(3)12-24-59)73-43-47-77(93-73)87(78-48-44-74(94-78)84(70-40-36-66(81)90-70)60-25-13-54(4)14-26-60)63-31-33-64(34-32-63)88-79-49-45-75(95-79)85(61-27-15-55(5)16-28-61)71-41-37-67(91-71)82(58-21-9-52(2)10-22-58)68-38-42-72(92-68)86(76-46-50-80(88)96-76)62-29-17-56(6)18-30-62/h7-50,89,91,94,96H,1-6H3/b81-65-,81-66-,82-67-,82-68-,83-69-,83-73-,84-70-,84-74-,85-71-,85-75-,86-72-,86-76-,87-77-,87-78-,88-79-,88-80-
InChIKeyRODHLSRUJGUNNW-GMCFREGPSA-N
MW1235.55 g/mol
LogP22.81
Rot. Bonds8

About 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin

5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin (PubChem CID 102214852) has the molecular formula C88H66N8 and a molecular weight of 1235.55 g/mol. Its IUPAC name is 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
PubChem CID102214852
Molecular FormulaC88H66N8
Molecular Weight1235.55 g/mol
Exact Mass1234.54
IUPAC Name5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(-c5c6nc(c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7nc(c(-c8ccc(C)cc8)c8ccc5[nH]8)C=C7)C=C6)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C88H66N8/c1-51-7-19-57(20-8-51)81-65-35-39-69(89-65)83(59-23-11-53(3)12-24-59)73-43-47-77(93-73)87(78-48-44-74(94-78)84(70-40-36-66(81)90-70)60-25-13-54(4)14-26-60)63-31-33-64(34-32-63)88-79-49-45-75(95-79)85(61-27-15-55(5)16-28-61)71-41-37-67(91-71)82(58-21-9-52(2)10-22-58)68-38-42-72(92-68)86(76-46-50-80(88)96-76)62-29-17-56(6)18-30-62/h7-50,89,91,94,96H,1-6H3/b81-65-,81-66-,82-67-,82-68-,83-69-,83-73-,84-70-,84-74-,85-71-,85-75-,86-72-,86-76-,87-77-,87-78-,88-79-,88-80-
InChIKeyRODHLSRUJGUNNW-GMCFREGPSA-N
XLogP22.81
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.55
LogP ≤ 522.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
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
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
CID 135508187
[4-[10,20-bis(4-methylphenyl)-15-(4-phosphonophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phosphonic acid
CID 136948391
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
6,11,16-tris(4-methylphenyl)-20,22-dithia-21,23-diazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5,7,9,11,13,15(21),16,18-decaene
CID 46846032
5,10,15-tri(cyclopenta-1,3-dien-1-yl)-20-(4-methylphenyl)-21,23-dihydroporphyrin
CID 136843859

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 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) is 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(-c5c6nc(c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7nc(c(-c8ccc(C)cc8)c8ccc5[nH]8)C=C7)C=C6)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
The InChIKey is RODHLSRUJGUNNW-GMCFREGPSA-N. The full InChI is InChI=1S/C88H66N8/c1-51-7-19-57(20-8-51)81-65-35-39-69(89-65)83(59-23-11-53(3)12-24-59)73-43-47-77(93-73)87(78-48-44-74(94-78)84(70-40-36-66(81)90-70)60-25-13-54(4)14-26-60)63-31-33-64(34-32-63)88-79-49-45-75(95-79)85(61-27-15-55(5)16-28-61)71-41-37-67(91-71)82(58-21-9-52(2)10-22-58)68-38-42-72(92-68)86(76-46-50-80(88)96-76)62-29-17-56(6)18-30-62/h7-50,89,91,94,96H,1-6H3/b81-65-,81-66-,82-67-,82-68-,83-69-,83-73-,84-70-,84-74-,85-71-,85-75-,86-72-,86-76-,87-77-,87-78-,88-79-,88-80-.
What are the key properties of 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 1235.55 g/mol, XLogP of 22.81, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 102214852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).