5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol

C52H37N5O — CID 137252785

IUPAC5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc(/C=N/c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c(O)c1
InChIInChI=1S/C52H37N5O/c1-33-17-18-38(48(58)31-33)32-53-39-21-19-37(20-22-39)52-46-29-27-44(56-46)50(35-13-7-3-8-14-35)42-25-23-40(54-42)49(34-11-5-2-6-12-34)41-24-26-43(55-41)51(36-15-9-4-10-16-36)45-28-30-47(52)57-45/h2-32,54,57-58H,1H3/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-,53-32+
InChIKeyDBIGMMLXCMTMLI-AYPUFDLMSA-N
MW747.90 g/mol
LogP13.09
Rot. Bonds6

About 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol

5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol (PubChem CID 137252785) has the molecular formula C52H37N5O and a molecular weight of 747.90 g/mol. Its IUPAC name is 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol
PubChem CID137252785
Molecular FormulaC52H37N5O
Molecular Weight747.90 g/mol
Exact Mass747.30
IUPAC Name5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc(/C=N/c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c(O)c1
InChIInChI=1S/C52H37N5O/c1-33-17-18-38(48(58)31-33)32-53-39-21-19-37(20-22-39)52-46-29-27-44(56-46)50(35-13-7-3-8-14-35)42-25-23-40(54-42)49(34-11-5-2-6-12-34)41-24-26-43(55-41)51(36-15-9-4-10-16-36)45-28-30-47(52)57-45/h2-32,54,57-58H,1H3/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-,53-32+
InChIKeyDBIGMMLXCMTMLI-AYPUFDLMSA-N
XLogP13.09
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.90
LogP ≤ 513.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-[4-[10,15,20-tris[4-[(4-methylphenyl)methylideneamino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanimine
CID 174359853
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
CID 135909432
5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4516447
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463
10,15,20-tris(4-methylphenyl)-5-[3-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin
CID 10350158
5-(4-azidophenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135863073

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol (CID 137252785) is 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol is Cc1ccc(/C=N/c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c(O)c1.
What is the InChIKey of 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol?
The InChIKey is DBIGMMLXCMTMLI-AYPUFDLMSA-N. The full InChI is InChI=1S/C52H37N5O/c1-33-17-18-38(48(58)31-33)32-53-39-21-19-37(20-22-39)52-46-29-27-44(56-46)50(35-13-7-3-8-14-35)42-25-23-40(54-42)49(34-11-5-2-6-12-34)41-24-26-43(55-41)51(36-15-9-4-10-16-36)45-28-30-47(52)57-45/h2-32,54,57-58H,1H3/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-,53-32+.
What are the key properties of 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol?
5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol has a molecular weight of 747.90 g/mol, XLogP of 13.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137252785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).