5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine

C48H39N5 — CID 135855105

IUPAC5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc2C=C4N)C=C3)cc1
InChIInChI=1S/C48H39N5/c1-28-5-13-32(14-6-28)44-37-21-22-38(50-37)45(33-15-7-29(2)8-16-33)40-25-26-42(52-40)47(35-19-11-31(4)12-20-35)48-36(49)27-43(53-48)46(41-24-23-39(44)51-41)34-17-9-30(3)10-18-34/h5-27,50,52H,49H2,1-4H3/b44-37-,44-39-,45-38-,45-40-,46-41-,46-43-,47-42-,48-47-
InChIKeyQUWDBBFQFDLORO-DOCADPJRSA-N
MW685.88 g/mol
LogP11.84
Rot. Bonds4

About 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine

5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine (PubChem CID 135855105) has the molecular formula C48H39N5 and a molecular weight of 685.88 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine
PubChem CID135855105
Molecular FormulaC48H39N5
Molecular Weight685.88 g/mol
Exact Mass685.32
IUPAC Name5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc2C=C4N)C=C3)cc1
InChIInChI=1S/C48H39N5/c1-28-5-13-32(14-6-28)44-37-21-22-38(50-37)45(33-15-7-29(2)8-16-33)40-25-26-42(52-40)47(35-19-11-31(4)12-20-35)48-36(49)27-43(53-48)46(41-24-23-39(44)51-41)34-17-9-30(3)10-18-34/h5-27,50,52H,49H2,1-4H3/b44-37-,44-39-,45-38-,45-40-,46-41-,46-43-,47-42-,48-47-
InChIKeyQUWDBBFQFDLORO-DOCADPJRSA-N
XLogP11.84
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.88
LogP ≤ 511.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine
CID 177400396
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
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
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
nickel;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 174749730
copper;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 170158211
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine?
The IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine (CID 135855105) is 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine.
What is the SMILES notation for 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine?
The canonical SMILES for 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc2C=C4N)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine?
The InChIKey is QUWDBBFQFDLORO-DOCADPJRSA-N. The full InChI is InChI=1S/C48H39N5/c1-28-5-13-32(14-6-28)44-37-21-22-38(50-37)45(33-15-7-29(2)8-16-33)40-25-26-42(52-40)47(35-19-11-31(4)12-20-35)48-36(49)27-43(53-48)46(41-24-23-39(44)51-41)34-17-9-30(3)10-18-34/h5-27,50,52H,49H2,1-4H3/b44-37-,44-39-,45-38-,45-40-,46-41-,46-43-,47-42-,48-47-.
What are the key properties of 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine?
5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine has a molecular weight of 685.88 g/mol, XLogP of 11.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine is sourced from PubChem (CID 135855105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).