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

C44H30N4 — CID 86280046

IUPAC5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C44H30N4/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/h1-28,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyYNHJECZULSZAQK-LWQDQPMZSA-N
MW614.75 g/mol
LogP11.32
Rot. Bonds4

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

5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 86280046) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID86280046
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C44H30N4/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/h1-28,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyYNHJECZULSZAQK-LWQDQPMZSA-N
XLogP11.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 86280046) is 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 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.
What is the InChIKey of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is YNHJECZULSZAQK-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H30N4/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/h1-28,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 614.75 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 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 86280046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).