dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C58H40N4O4Sn — CID 135484874

IUPACdibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.O=C(O[Sn]OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C44H30N4.2C7H6O2.Sn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*8-7(9)6-4-2-1-3-5-6;/h1-28,45,48H;2*1-5H,(H,8,9);/q;;;+2/p-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;
InChIKeyNCPMJAJUPCNHND-NBICUONBSA-L
MW975.69 g/mol
LogP13.56
Rot. Bonds8

About dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 135484874) has the molecular formula C58H40N4O4Sn and a molecular weight of 975.69 g/mol. Its IUPAC name is dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Namedibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID135484874
Molecular FormulaC58H40N4O4Sn
Molecular Weight975.69 g/mol
Exact Mass976.21
IUPAC Namedibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.O=C(O[Sn]OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C44H30N4.2C7H6O2.Sn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*8-7(9)6-4-2-1-3-5-6;/h1-28,45,48H;2*1-5H,(H,8,9);/q;;;+2/p-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;
InChIKeyNCPMJAJUPCNHND-NBICUONBSA-L
XLogP13.56
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.69
LogP ≤ 513.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dibenzoyloxytin;5,10,15,20-tetraphenyl-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

meso-Tetra(4-carboxyphenyl)porphine
CID 86278368
5-[4-[10,15,20-Tris[4-(3,5-dicarboxyphenyl)phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]benzene-1,3-dicarboxylic acid
CID 44322946
4-[10,15,20-Tris(4-carboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid
CID 5479495
4-[4-[10,15,20-Tris[4-(4-carboxyphenyl)phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]benzoic acid
CID 44322878
2-[[4-[4-[(5Z,10Z,14Z,19Z)-10,15,20-tris[4-[4-(carboxymethylcarbamoyl)phenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]benzoyl]amino]acetic acid
CID 49774629
3-[4-[(5Z,10Z,14Z,19Z)-10,15,20-tris[4-(3-carboxyphenyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]benzoic acid
CID 49774634
4-[10-(4-Carboxyphenyl)-15,20-bis[4-(dimethylamino)phenyl]-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137658592
Tetrakis(3,5-dicarboxyphenyl)porphyrin
CID 44240544
5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin
CID 135446084
4-[10,15,20-Tris[4-(dimethylamino)phenyl]-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137646923
23-Methyl-5,10,15,20-tetrakis(4-carboxyphenyl)-21H,23H-porphine
CID 5479496
5-Phenyl-10,15,20-tri(4-carboxyphenyl)porphine
CID 135483732

Frequently Asked Questions

What is the IUPAC name of dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 135484874) is dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.O=C(O[Sn]OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is NCPMJAJUPCNHND-NBICUONBSA-L. The full InChI is InChI=1S/C44H30N4.2C7H6O2.Sn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*8-7(9)6-4-2-1-3-5-6;/h1-28,45,48H;2*1-5H,(H,8,9);/q;;;+2/p-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;.
What are the key properties of dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 975.69 g/mol, XLogP of 13.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzoyloxytin;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135484874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).