5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin

C52H52N4O4 — CID 15984214

IUPAC5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
SMILESCOc1ccc(C2(C)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C52H52N4O4/c1-49(33-9-17-37(57-5)18-10-33)41-25-27-43(53-41)50(2,34-11-19-38(58-6)20-12-34)45-29-31-47(55-45)52(4,36-15-23-40(60-8)24-16-36)48-32-30-46(56-48)51(3,44-28-26-42(49)54-44)35-13-21-39(59-7)22-14-35/h9-32,53-56H,1-8H3
InChIKeyWPMGBFBYQXVFDG-UHFFFAOYSA-N
MW797.01 g/mol
LogP10.76
Rot. Bonds8

About 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 15984214) has the molecular formula C52H52N4O4 and a molecular weight of 797.01 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
PubChem CID15984214
Molecular FormulaC52H52N4O4
Molecular Weight797.01 g/mol
Exact Mass796.40
IUPAC Name5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
SMILESCOc1ccc(C2(C)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C52H52N4O4/c1-49(33-9-17-37(57-5)18-10-33)41-25-27-43(53-41)50(2,34-11-19-38(58-6)20-12-34)45-29-31-47(55-45)52(4,36-15-23-40(60-8)24-16-36)48-32-30-46(56-48)51(3,44-28-26-42(49)54-44)35-13-21-39(59-7)22-14-35/h9-32,53-56H,1-8H3
InChIKeyWPMGBFBYQXVFDG-UHFFFAOYSA-N
XLogP10.76
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.01
LogP ≤ 510.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin (CID 15984214) is 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin is COc1ccc(C2(C)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc([nH]3)C(C)(c3ccc(OC)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is WPMGBFBYQXVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N4O4/c1-49(33-9-17-37(57-5)18-10-33)41-25-27-43(53-41)50(2,34-11-19-38(58-6)20-12-34)45-29-31-47(55-45)52(4,36-15-23-40(60-8)24-16-36)48-32-30-46(56-48)51(3,44-28-26-42(49)54-44)35-13-21-39(59-7)22-14-35/h9-32,53-56H,1-8H3.
What are the key properties of 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 797.01 g/mol, XLogP of 10.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-methoxyphenyl)-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 15984214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).