5,10,15-triphenyl-21H-corrin

C37H24N4 — CID 67330602

IUPAC5,10,15-triphenyl-21H-corrin
SMILESC1=C/C2=C(\c3ccccc3)C3=N/C(=c4/cc/c([nH]4)=C(\c4ccccc4)C4=N/C(=C(/c5ccccc5)C1=N2)C=C4)C=C3
InChIInChI=1S/C37H24N4/c1-4-10-24(11-5-1)35-29-18-16-27(38-29)28-17-19-30(39-28)36(25-12-6-2-7-13-25)32-21-23-34(41-32)37(26-14-8-3-9-15-26)33-22-20-31(35)40-33/h1-23,38H/b28-27-,35-29-,35-31-,36-30-,36-32-,37-33-,37-34-
InChIKeyPPEXNFRKMREHMJ-BXDIYPIMSA-N
MW524.63 g/mol
LogP6.19
Rot. Bonds3

About 5,10,15-triphenyl-21H-corrin

5,10,15-triphenyl-21H-corrin (PubChem CID 67330602) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 5,10,15-triphenyl-21H-corrin.

Molecular Properties

Compound Name5,10,15-triphenyl-21H-corrin
PubChem CID67330602
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name5,10,15-triphenyl-21H-corrin
SMILESC1=C/C2=C(\c3ccccc3)C3=N/C(=c4/cc/c([nH]4)=C(\c4ccccc4)C4=N/C(=C(/c5ccccc5)C1=N2)C=C4)C=C3
InChIInChI=1S/C37H24N4/c1-4-10-24(11-5-1)35-29-18-16-27(38-29)28-17-19-30(39-28)36(25-12-6-2-7-13-25)32-21-23-34(41-32)37(26-14-8-3-9-15-26)33-22-20-31(35)40-33/h1-23,38H/b28-27-,35-29-,35-31-,36-30-,36-32-,37-33-,37-34-
InChIKeyPPEXNFRKMREHMJ-BXDIYPIMSA-N
XLogP6.19
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10,15-triphenyl-21H-corrin?
The IUPAC name of 5,10,15-triphenyl-21H-corrin (CID 67330602) is 5,10,15-triphenyl-21H-corrin.
What is the SMILES notation for 5,10,15-triphenyl-21H-corrin?
The canonical SMILES for 5,10,15-triphenyl-21H-corrin is C1=C/C2=C(\c3ccccc3)C3=N/C(=c4/cc/c([nH]4)=C(\c4ccccc4)C4=N/C(=C(/c5ccccc5)C1=N2)C=C4)C=C3.
What is the InChIKey of 5,10,15-triphenyl-21H-corrin?
The InChIKey is PPEXNFRKMREHMJ-BXDIYPIMSA-N. The full InChI is InChI=1S/C37H24N4/c1-4-10-24(11-5-1)35-29-18-16-27(38-29)28-17-19-30(39-28)36(25-12-6-2-7-13-25)32-21-23-34(41-32)37(26-14-8-3-9-15-26)33-22-20-31(35)40-33/h1-23,38H/b28-27-,35-29-,35-31-,36-30-,36-32-,37-33-,37-34-.
What are the key properties of 5,10,15-triphenyl-21H-corrin?
5,10,15-triphenyl-21H-corrin has a molecular weight of 524.63 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-triphenyl-21H-corrin is sourced from PubChem (CID 67330602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).