5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin

C84H62N12O4 — CID 142756941

IUPAC5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2-c2c3nc(c(-c4cn(-c5ccccc5)nc4-c4cccc(OC)c4)c4ccc([nH]4)c(-c4cn(-c5ccccc5)nc4-c4cccc(OC)c4)c4nc(c(-c5cn(-c6ccccc6)nc5-c5cccc(OC)c5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C84H62N12O4/c1-97-61-33-17-21-53(45-61)81-65(49-93(89-81)57-25-9-5-10-26-57)77-69-37-39-71(85-69)78(66-50-94(58-27-11-6-12-28-58)90-82(66)54-22-18-34-62(46-54)98-2)73-41-43-75(87-73)80(68-52-96(60-31-15-8-16-32-60)92-84(68)56-24-20-36-64(48-56)100-4)76-44-42-74(88-76)79(72-40-38-70(77)86-72)67-51-95(59-29-13-7-14-30-59)91-83(67)55-23-19-35-63(47-55)99-3/h5-52,85,88H,1-4H3/b77-69-,77-70-,78-71-,78-73-,79-72-,79-74-,80-75-,80-76-
InChIKeyOFPJWDJLYOAUTB-YYORVEAWSA-N
MW1303.50 g/mol
LogP18.77
Rot. Bonds16

About 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin (PubChem CID 142756941) has the molecular formula C84H62N12O4 and a molecular weight of 1303.50 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin
PubChem CID142756941
Molecular FormulaC84H62N12O4
Molecular Weight1303.50 g/mol
Exact Mass1302.50
IUPAC Name5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2-c2c3nc(c(-c4cn(-c5ccccc5)nc4-c4cccc(OC)c4)c4ccc([nH]4)c(-c4cn(-c5ccccc5)nc4-c4cccc(OC)c4)c4nc(c(-c5cn(-c6ccccc6)nc5-c5cccc(OC)c5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C84H62N12O4/c1-97-61-33-17-21-53(45-61)81-65(49-93(89-81)57-25-9-5-10-26-57)77-69-37-39-71(85-69)78(66-50-94(58-27-11-6-12-28-58)90-82(66)54-22-18-34-62(46-54)98-2)73-41-43-75(87-73)80(68-52-96(60-31-15-8-16-32-60)92-84(68)56-24-20-36-64(48-56)100-4)76-44-42-74(88-76)79(72-40-38-70(77)86-72)67-51-95(59-29-13-7-14-30-59)91-83(67)55-23-19-35-63(47-55)99-3/h5-52,85,88H,1-4H3/b77-69-,77-70-,78-71-,78-73-,79-72-,79-74-,80-75-,80-76-
InChIKeyOFPJWDJLYOAUTB-YYORVEAWSA-N
XLogP18.77
TPSA165.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.50
LogP ≤ 518.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
5-(3-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135503083
5-(4-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135507716
21H,23H-Porphine, 5,10,15,20-tetrakis(2-methoxyphenyl)-
CID 135471660
5,10,15,20-Tetra(3-methoxyphenyl)porphyrin
CID 135542233
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
5,10,15,20-Tetrakis(4-methoxyphenyl)-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
CID 137246690
(5Z,10Z,14Z,19Z)-7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 135413910
N,N-dimethyl-3-[4-[10,15,20-tris[4-[3-(dimethylamino)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propan-1-amine
CID 136877066
5,10,15,20-Tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin
CID 140886

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin (CID 142756941) is 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin is COc1cccc(-c2nn(-c3ccccc3)cc2-c2c3nc(c(-c4cn(-c5ccccc5)nc4-c4cccc(OC)c4)c4ccc([nH]4)c(-c4cn(-c5ccccc5)nc4-c4cccc(OC)c4)c4nc(c(-c5cn(-c6ccccc6)nc5-c5cccc(OC)c5)c5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin?
The InChIKey is OFPJWDJLYOAUTB-YYORVEAWSA-N. The full InChI is InChI=1S/C84H62N12O4/c1-97-61-33-17-21-53(45-61)81-65(49-93(89-81)57-25-9-5-10-26-57)77-69-37-39-71(85-69)78(66-50-94(58-27-11-6-12-28-58)90-82(66)54-22-18-34-62(46-54)98-2)73-41-43-75(87-73)80(68-52-96(60-31-15-8-16-32-60)92-84(68)56-24-20-36-64(48-56)100-4)76-44-42-74(88-76)79(72-40-38-70(77)86-72)67-51-95(59-29-13-7-14-30-59)91-83(67)55-23-19-35-63(47-55)99-3/h5-52,85,88H,1-4H3/b77-69-,77-70-,78-71-,78-73-,79-72-,79-74-,80-75-,80-76-.
What are the key properties of 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin has a molecular weight of 1303.50 g/mol, XLogP of 18.77, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin is sourced from PubChem (CID 142756941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).