copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

C44H30CuN4+2 — CID 57348333

IUPACcopper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cu+2]
InChIInChI=1S/C44H30N4.Cu/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;/h1-28,45-46H;/q;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyRBSZNVCAFLOFLK-DAJBKUBHSA-N
MW678.30 g/mol
LogP11.32
Rot. Bonds4

About copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin (PubChem CID 57348333) has the molecular formula C44H30CuN4+2 and a molecular weight of 678.30 g/mol. Its IUPAC name is copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Namecopper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
PubChem CID57348333
Molecular FormulaC44H30CuN4+2
Molecular Weight678.30 g/mol
Exact Mass677.18
IUPAC Namecopper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cu+2]
InChIInChI=1S/C44H30N4.Cu/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;/h1-28,45-46H;/q;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyRBSZNVCAFLOFLK-DAJBKUBHSA-N
XLogP11.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.30
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453728
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040

Frequently Asked Questions

What is the IUPAC name of copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The IUPAC name of copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin (CID 57348333) is copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The canonical SMILES for copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cu+2].
What is the InChIKey of copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The InChIKey is RBSZNVCAFLOFLK-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H30N4.Cu/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;/h1-28,45-46H;/q;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.
What are the key properties of copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin has a molecular weight of 678.30 g/mol, XLogP of 11.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 57348333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).