(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

C36H32N4O2 — CID 101267150

IUPAC(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESCOCc1ccccc1/C1=c2\cc/c([nH]2)=C/c2ccc([nH]2)/C(c2ccccc2COC)=c2/cc/c([nH]2)=C/c2ccc1[nH]2
InChIInChI=1S/C36H32N4O2/c1-41-21-23-7-3-5-9-29(23)35-31-15-11-25(37-31)19-27-13-17-33(39-27)36(30-10-6-4-8-24(30)22-42-2)34-18-14-28(40-34)20-26-12-16-32(35)38-26/h3-20,37-40H,21-22H2,1-2H3/b25-19-,26-20-,27-19-,28-20-,35-31-,35-32-,36-33-,36-34-
InChIKeyVJISLWGQKWPBQY-FPYNEFEXSA-N
MW552.68 g/mol
LogP3.76
Rot. Bonds6

About (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (PubChem CID 101267150) has the molecular formula C36H32N4O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
PubChem CID101267150
Molecular FormulaC36H32N4O2
Molecular Weight552.68 g/mol
Exact Mass552.25
IUPAC Name(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESCOCc1ccccc1/C1=c2\cc/c([nH]2)=C/c2ccc([nH]2)/C(c2ccccc2COC)=c2/cc/c([nH]2)=C/c2ccc1[nH]2
InChIInChI=1S/C36H32N4O2/c1-41-21-23-7-3-5-9-29(23)35-31-15-11-25(37-31)19-27-13-17-33(39-27)36(30-10-6-4-8-24(30)22-42-2)34-18-14-28(40-34)20-26-12-16-32(35)38-26/h3-20,37-40H,21-22H2,1-2H3/b25-19-,26-20-,27-19-,28-20-,35-31-,35-32-,36-33-,36-34-
InChIKeyVJISLWGQKWPBQY-FPYNEFEXSA-N
XLogP3.76
TPSA81.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
5-(9,9-dihexadecylfluoren-2-yl)-15-(9-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynyl-9-methylfluoren-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 123274204
15-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-2,3,21,22,23,24-hexahydroporphyrin-2,3-diol
CID 91124119
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin
CID 91376378
3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
CID 156692785
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91412808
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
CID 123655745
CID 123655745

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (CID 101267150) is (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is COCc1ccccc1/C1=c2\cc/c([nH]2)=C/c2ccc([nH]2)/C(c2ccccc2COC)=c2/cc/c([nH]2)=C/c2ccc1[nH]2.
What is the InChIKey of (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The InChIKey is VJISLWGQKWPBQY-FPYNEFEXSA-N. The full InChI is InChI=1S/C36H32N4O2/c1-41-21-23-7-3-5-9-29(23)35-31-15-11-25(37-31)19-27-13-17-33(39-27)36(30-10-6-4-8-24(30)22-42-2)34-18-14-28(40-34)20-26-12-16-32(35)38-26/h3-20,37-40H,21-22H2,1-2H3/b25-19-,26-20-,27-19-,28-20-,35-31-,35-32-,36-33-,36-34-.
What are the key properties of (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin has a molecular weight of 552.68 g/mol, XLogP of 3.76, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 101267150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).