(Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol

C45H30N4O — CID 135693179

IUPAC(Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol
SMILESO/C=C1/C=C2N=C1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)C1=N/C(=C(/c3ccccc3)C3=N/C(=C\2c2ccccc2)C=C3)C=C1
InChIInChI=1S/C45H30N4O/c50-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(47-38)41(29-13-5-1-6-14-29)34-21-22-35(46-34)42(30-15-7-2-8-16-30)37-25-26-39(48-37)44(45(33)49-40)32-19-11-4-12-20-32/h1-28,48,50H/b33-28-,41-34-,42-37-,43-38-,44-39-
InChIKeyYFNMKGBSIJIQIY-DGIHBACPSA-N
MW642.76 g/mol
LogP8.05
Rot. Bonds4

About (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol

(Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol (PubChem CID 135693179) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol.

Molecular Properties

Compound Name(Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol
PubChem CID135693179
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name(Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol
SMILESO/C=C1/C=C2N=C1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)C1=N/C(=C(/c3ccccc3)C3=N/C(=C\2c2ccccc2)C=C3)C=C1
InChIInChI=1S/C45H30N4O/c50-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(47-38)41(29-13-5-1-6-14-29)34-21-22-35(46-34)42(30-15-7-2-8-16-30)37-25-26-39(48-37)44(45(33)49-40)32-19-11-4-12-20-32/h1-28,48,50H/b33-28-,41-34-,42-37-,43-38-,44-39-
InChIKeyYFNMKGBSIJIQIY-DGIHBACPSA-N
XLogP8.05
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
CID 59167867
(5,10,15,20-Tetraphenylporphyrin cation-radical)(oxo)iron(IV)
CID 60182260
(E)-[(17Z)-17-(hydroxymethylidene)-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-8,23-dihydro-7H-corrin-3-ylidene]methanol
CID 135734344
(E)-[(17E)-17-(hydroxymethylidene)-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-8,23-dihydro-7H-corrin-3-ylidene]methanol
CID 135889780
2,3,5,7-Tetraphenylporphyrin
CID 66584706
3,5,7,8-Tetraphenylporphyrin-2,20-diamine
CID 67820310
3,5,7,8-Tetraphenylporphyrin-2-amine
CID 68539924
2,3,18,20-Tetraphenylporphyrin-5-amine
CID 89761123
3,5,7,8-Tetraphenylporphyrin-2-ol
CID 136476963
1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin
CID 136656264
(12Z,14Z)-2,4,6,8,10,16-hexakis(ethenyl)-12,14-di(ethylidene)-3,7,11,15-tetraphenyl-1,5,9,13-tetrazacyclohexadeca-1,3,6,8,10,15-hexaene
CID 137299645
5,10,15,20-Tetraphenyl-21,23-dihydroporphyrin-21-ium chloride
CID 140373809

Frequently Asked Questions

What is the IUPAC name of (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol?
The IUPAC name of (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol (CID 135693179) is (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol.
What is the SMILES notation for (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol?
The canonical SMILES for (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol is O/C=C1/C=C2N=C1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)C1=N/C(=C(/c3ccccc3)C3=N/C(=C\2c2ccccc2)C=C3)C=C1.
What is the InChIKey of (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol?
The InChIKey is YFNMKGBSIJIQIY-DGIHBACPSA-N. The full InChI is InChI=1S/C45H30N4O/c50-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(47-38)41(29-13-5-1-6-14-29)34-21-22-35(46-34)42(30-15-7-2-8-16-30)37-25-26-39(48-37)44(45(33)49-40)32-19-11-4-12-20-32/h1-28,48,50H/b33-28-,41-34-,42-37-,43-38-,44-39-.
What are the key properties of (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol?
(Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol has a molecular weight of 642.76 g/mol, XLogP of 8.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(5,10,15,20-tetraphenyl-24H-porphyrin-2-ylidene)methanol is sourced from PubChem (CID 135693179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).