5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin

C36H30N4O4 — CID 136798646

IUPAC5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1OC
InChIInChI=1S/C36H30N4O4/c1-41-31-15-5-21(17-33(31)43-3)35-27-11-7-23(37-27)19-25-9-13-29(39-25)36(22-6-16-32(42-2)34(18-22)44-4)30-14-10-26(40-30)20-24-8-12-28(35)38-24/h5-20,37,40H,1-4H3/b23-19-,24-20-,25-19-,26-20-,35-27-,35-28-,36-29-,36-30-
InChIKeyUHYAIIBFERARHP-RIRTYBNCSA-N
MW582.66 g/mol
LogP8.02
Rot. Bonds6

About 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin

5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 136798646) has the molecular formula C36H30N4O4 and a molecular weight of 582.66 g/mol. Its IUPAC name is 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
PubChem CID136798646
Molecular FormulaC36H30N4O4
Molecular Weight582.66 g/mol
Exact Mass582.23
IUPAC Name5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1OC
InChIInChI=1S/C36H30N4O4/c1-41-31-15-5-21(17-33(31)43-3)35-27-11-7-23(37-27)19-25-9-13-29(39-25)36(22-6-16-32(42-2)34(18-22)44-4)30-14-10-26(40-30)20-24-8-12-28(35)38-24/h5-20,37,40H,1-4H3/b23-19-,24-20-,25-19-,26-20-,35-27-,35-28-,36-29-,36-30-
InChIKeyUHYAIIBFERARHP-RIRTYBNCSA-N
XLogP8.02
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.66
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 174499207
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
4-[15-[4-(4-methoxyanilino)phenyl]-21,22-dihydroporphyrin-5-yl]-N-(4-methoxyphenyl)aniline
CID 10908866
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
5-[4-(bromomethoxy)phenyl]-10-(2,3,4-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 141235016
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin (CID 136798646) is 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1OC.
What is the InChIKey of 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is UHYAIIBFERARHP-RIRTYBNCSA-N. The full InChI is InChI=1S/C36H30N4O4/c1-41-31-15-5-21(17-33(31)43-3)35-27-11-7-23(37-27)19-25-9-13-29(39-25)36(22-6-16-32(42-2)34(18-22)44-4)30-14-10-26(40-30)20-24-8-12-28(35)38-24/h5-20,37,40H,1-4H3/b23-19-,24-20-,25-19-,26-20-,35-27-,35-28-,36-29-,36-30-.
What are the key properties of 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 582.66 g/mol, XLogP of 8.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 136798646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).