dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide

C88H54N8Zn2 — CID 146020193

IUPACdizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3-c3cc4[n-]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2]
InChIInChI=1S/C88H54N8.2Zn/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;
InChIKeyCCIAYANZDWKSEV-OLRUKZAISA-N
MW1354.24 g/mol
LogP21.14
Rot. Bonds9

About dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide

dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide (PubChem CID 146020193) has the molecular formula C88H54N8Zn2 and a molecular weight of 1354.24 g/mol. Its IUPAC name is dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide.

Molecular Properties

Compound Namedizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide
PubChem CID146020193
Molecular FormulaC88H54N8Zn2
Molecular Weight1354.24 g/mol
Exact Mass1350.31
IUPAC Namedizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3-c3cc4[n-]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2]
InChIInChI=1S/C88H54N8.2Zn/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;
InChIKeyCCIAYANZDWKSEV-OLRUKZAISA-N
XLogP21.14
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001354.24
LogP ≤ 521.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide?
The IUPAC name of dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide (CID 146020193) is dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide.
What is the SMILES notation for dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide?
The canonical SMILES for dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide is C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3-c3cc4[n-]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([n-]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide?
The InChIKey is CCIAYANZDWKSEV-OLRUKZAISA-N. The full InChI is InChI=1S/C88H54N8.2Zn/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;.
What are the key properties of dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide?
dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide has a molecular weight of 1354.24 g/mol, XLogP of 21.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide is sourced from PubChem (CID 146020193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).