2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid

C46H33N5O2 — CID 135957258

IUPAC2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid
SMILESO=C(O)CNc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C46H33N5O2/c52-42(53)28-47-33-19-11-10-18-32(33)46-40-26-24-38(50-40)44(30-14-6-2-7-15-30)36-22-20-34(48-36)43(29-12-4-1-5-13-29)35-21-23-37(49-35)45(31-16-8-3-9-17-31)39-25-27-41(46)51-39/h1-27,47-48,51H,28H2,(H,52,53)/b43-34-,43-35-,44-36-,44-38-,45-37-,45-39-,46-40-,46-41-
InChIKeyVQCLAROHXNJPKK-KQWSROBNSA-N
MW687.80 g/mol
LogP10.82
Rot. Bonds7

About 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid

2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid (PubChem CID 135957258) has the molecular formula C46H33N5O2 and a molecular weight of 687.80 g/mol. Its IUPAC name is 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid
PubChem CID135957258
Molecular FormulaC46H33N5O2
Molecular Weight687.80 g/mol
Exact Mass687.26
IUPAC Name2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid
SMILESO=C(O)CNc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C46H33N5O2/c52-42(53)28-47-33-19-11-10-18-32(33)46-40-26-24-38(50-40)44(30-14-6-2-7-15-30)36-22-20-34(48-36)43(29-12-4-1-5-13-29)35-21-23-37(49-35)45(31-16-8-3-9-17-31)39-25-27-41(46)51-39/h1-27,47-48,51H,28H2,(H,52,53)/b43-34-,43-35-,44-36-,44-38-,45-37-,45-39-,46-40-,46-41-
InChIKeyVQCLAROHXNJPKK-KQWSROBNSA-N
XLogP10.82
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.80
LogP ≤ 510.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid with MolForge

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Related Compounds

CID 175208777
CID 175208777
2-[carboxymethyl-[2-hydroxy-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminoethyl]amino]acetic acid
CID 136805901
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
S-[4-[15-(4-acetylsulfanylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenyl] ethanethioate
CID 136717588
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660
2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
CID 136884117
nickel;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 158282965
titanium;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 157132426
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid?
The IUPAC name of 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid (CID 135957258) is 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid.
What is the SMILES notation for 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid?
The canonical SMILES for 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid is O=C(O)CNc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid?
The InChIKey is VQCLAROHXNJPKK-KQWSROBNSA-N. The full InChI is InChI=1S/C46H33N5O2/c52-42(53)28-47-33-19-11-10-18-32(33)46-40-26-24-38(50-40)44(30-14-6-2-7-15-30)36-22-20-34(48-36)43(29-12-4-1-5-13-29)35-21-23-37(49-35)45(31-16-8-3-9-17-31)39-25-27-41(46)51-39/h1-27,47-48,51H,28H2,(H,52,53)/b43-34-,43-35-,44-36-,44-38-,45-37-,45-39-,46-40-,46-41-.
What are the key properties of 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid?
2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid has a molecular weight of 687.80 g/mol, XLogP of 10.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]acetic acid is sourced from PubChem (CID 135957258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).