5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin

C52H48N4O2 — CID 91029721

IUPAC5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1ccc(C2=c3ccc([nH]3)=C(c3c(C)cc(C)cc3C)c3ccc([nH]3)C(c3ccc(OC)cc3)=c3ccc([nH]3)=C(c3c(C)cc(C)cc3C)c3ccc2[nH]3)cc1
InChIInChI=1S/C52H48N4O2/c1-29-25-31(3)47(32(4)26-29)51-43-21-17-39(53-43)49(35-9-13-37(57-7)14-10-35)41-19-23-45(55-41)52(48-33(5)27-30(2)28-34(48)6)46-24-20-42(56-46)50(40-18-22-44(51)54-40)36-11-15-38(58-8)16-12-36/h9-28,53-56H,1-8H3
InChIKeyURXBIUCXUUAYAK-UHFFFAOYSA-N
MW760.98 g/mol
LogP8.17
Rot. Bonds6

About 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin

5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91029721) has the molecular formula C52H48N4O2 and a molecular weight of 760.98 g/mol. Its IUPAC name is 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91029721
Molecular FormulaC52H48N4O2
Molecular Weight760.98 g/mol
Exact Mass760.38
IUPAC Name5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1ccc(C2=c3ccc([nH]3)=C(c3c(C)cc(C)cc3C)c3ccc([nH]3)C(c3ccc(OC)cc3)=c3ccc([nH]3)=C(c3c(C)cc(C)cc3C)c3ccc2[nH]3)cc1
InChIInChI=1S/C52H48N4O2/c1-29-25-31(3)47(32(4)26-29)51-43-21-17-39(53-43)49(35-9-13-37(57-7)14-10-35)41-19-23-45(55-41)52(48-33(5)27-30(2)28-34(48)6)46-24-20-42(56-46)50(40-18-22-44(51)54-40)36-11-15-38(58-8)16-12-36/h9-28,53-56H,1-8H3
InChIKeyURXBIUCXUUAYAK-UHFFFAOYSA-N
XLogP8.17
TPSA81.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 58.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91029721) is 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin is COc1ccc(C2=c3ccc([nH]3)=C(c3c(C)cc(C)cc3C)c3ccc([nH]3)C(c3ccc(OC)cc3)=c3ccc([nH]3)=C(c3c(C)cc(C)cc3C)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is URXBIUCXUUAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4O2/c1-29-25-31(3)47(32(4)26-29)51-43-21-17-39(53-43)49(35-9-13-37(57-7)14-10-35)41-19-23-45(55-41)52(48-33(5)27-30(2)28-34(48)6)46-24-20-42(56-46)50(40-18-22-44(51)54-40)36-11-15-38(58-8)16-12-36/h9-28,53-56H,1-8H3.
What are the key properties of 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 760.98 g/mol, XLogP of 8.17, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(4-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91029721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).