5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin

C52H48N4O8 — CID 91292093

IUPAC5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1cc(OC)cc(C2=c3ccc([nH]3)=C(c3cc(OC)cc(OC)c3)c3ccc([nH]3)C(c3cc(OC)cc(OC)c3)=c3ccc([nH]3)=C(c3cc(OC)cc(OC)c3)c3ccc2[nH]3)c1
InChIInChI=1S/C52H48N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44)31-21-37(61-5)27-38(22-31)62-6/h9-28,53-56H,1-8H3
InChIKeyCXHLRCIKMKDTCZ-UHFFFAOYSA-N
MW856.98 g/mol
LogP6.37
Rot. Bonds12

About 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91292093) has the molecular formula C52H48N4O8 and a molecular weight of 856.98 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91292093
Molecular FormulaC52H48N4O8
Molecular Weight856.98 g/mol
Exact Mass856.35
IUPAC Name5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1cc(OC)cc(C2=c3ccc([nH]3)=C(c3cc(OC)cc(OC)c3)c3ccc([nH]3)C(c3cc(OC)cc(OC)c3)=c3ccc([nH]3)=C(c3cc(OC)cc(OC)c3)c3ccc2[nH]3)c1
InChIInChI=1S/C52H48N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44)31-21-37(61-5)27-38(22-31)62-6/h9-28,53-56H,1-8H3
InChIKeyCXHLRCIKMKDTCZ-UHFFFAOYSA-N
XLogP6.37
TPSA137.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.98
LogP ≤ 56.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91292093) is 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin is COc1cc(OC)cc(C2=c3ccc([nH]3)=C(c3cc(OC)cc(OC)c3)c3ccc([nH]3)C(c3cc(OC)cc(OC)c3)=c3ccc([nH]3)=C(c3cc(OC)cc(OC)c3)c3ccc2[nH]3)c1.
What is the InChIKey of 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is CXHLRCIKMKDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44)31-21-37(61-5)27-38(22-31)62-6/h9-28,53-56H,1-8H3.
What are the key properties of 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 856.98 g/mol, XLogP of 6.37, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91292093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).