5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin

C50H42N4O6 — CID 135446094

IUPAC5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C50H42N4O6/c1-55-33-13-7-29(8-14-33)46-36-19-21-38(51-36)47(30-9-15-34(56-2)16-10-30)40-23-25-42(53-40)49(32-27-44(58-4)50(60-6)45(28-32)59-5)43-26-24-41(54-43)48(39-22-20-37(46)52-39)31-11-17-35(57-3)18-12-31/h7-28,51,54H,1-6H3/b46-36-,46-37-,47-38-,47-40-,48-39-,48-41-,49-42-,49-43-
InChIKeyMBQCYDPFHUPDBP-CTDUHSOGSA-N
MW794.91 g/mol
LogP11.38
Rot. Bonds10

About 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin

5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 135446094) has the molecular formula C50H42N4O6 and a molecular weight of 794.91 g/mol. Its IUPAC name is 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
PubChem CID135446094
Molecular FormulaC50H42N4O6
Molecular Weight794.91 g/mol
Exact Mass794.31
IUPAC Name5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C50H42N4O6/c1-55-33-13-7-29(8-14-33)46-36-19-21-38(51-36)47(30-9-15-34(56-2)16-10-30)40-23-25-42(53-40)49(32-27-44(58-4)50(60-6)45(28-32)59-5)43-26-24-41(54-43)48(39-22-20-37(46)52-39)31-11-17-35(57-3)18-12-31/h7-28,51,54H,1-6H3/b46-36-,46-37-,47-38-,47-40-,48-39-,48-41-,49-42-,49-43-
InChIKeyMBQCYDPFHUPDBP-CTDUHSOGSA-N
XLogP11.38
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.91
LogP ≤ 511.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin (CID 135446094) is 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is MBQCYDPFHUPDBP-CTDUHSOGSA-N. The full InChI is InChI=1S/C50H42N4O6/c1-55-33-13-7-29(8-14-33)46-36-19-21-38(51-36)47(30-9-15-34(56-2)16-10-30)40-23-25-42(53-40)49(32-27-44(58-4)50(60-6)45(28-32)59-5)43-26-24-41(54-43)48(39-22-20-37(46)52-39)31-11-17-35(57-3)18-12-31/h7-28,51,54H,1-6H3/b46-36-,46-37-,47-38-,47-40-,48-39-,48-41-,49-42-,49-43-.
What are the key properties of 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin?
5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 794.91 g/mol, XLogP of 11.38, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-methoxyphenyl)-20-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135446094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).