5,10,15,20-tetrapropyl-21,22-dihydroporphyrin

C32H38N4 — CID 14029498

IUPAC5,10,15,20-tetrapropyl-21,22-dihydroporphyrin
SMILESCCCc1c2nc(c(CCC)c3ccc([nH]3)c(CCC)c3ccc([nH]3)c(CCC)c3nc1C=C3)C=C2
InChIInChI=1S/C32H38N4/c1-5-9-21-25-13-15-27(33-25)22(10-6-2)29-17-19-31(35-29)24(12-8-4)32-20-18-30(36-32)23(11-7-3)28-16-14-26(21)34-28/h13-20,33-34H,5-12H2,1-4H3/b25-21-,26-21-,27-22-,28-23-,29-22-,30-23-,31-24-,32-24-
InChIKeyJNYYHJHABCSFID-KEBMOAGCSA-N
MW478.68 g/mol
LogP8.47
Rot. Bonds8

About 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin

5,10,15,20-tetrapropyl-21,22-dihydroporphyrin (PubChem CID 14029498) has the molecular formula C32H38N4 and a molecular weight of 478.68 g/mol. Its IUPAC name is 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrapropyl-21,22-dihydroporphyrin
PubChem CID14029498
Molecular FormulaC32H38N4
Molecular Weight478.68 g/mol
Exact Mass478.31
IUPAC Name5,10,15,20-tetrapropyl-21,22-dihydroporphyrin
SMILESCCCc1c2nc(c(CCC)c3ccc([nH]3)c(CCC)c3ccc([nH]3)c(CCC)c3nc1C=C3)C=C2
InChIInChI=1S/C32H38N4/c1-5-9-21-25-13-15-27(33-25)22(10-6-2)29-17-19-31(35-29)24(12-8-4)32-20-18-30(36-32)23(11-7-3)28-16-14-26(21)34-28/h13-20,33-34H,5-12H2,1-4H3/b25-21-,26-21-,27-22-,28-23-,29-22-,30-23-,31-24-,32-24-
InChIKeyJNYYHJHABCSFID-KEBMOAGCSA-N
XLogP8.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 58.47
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-tetrapropyl-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin (CID 14029498) is 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin is CCCc1c2nc(c(CCC)c3ccc([nH]3)c(CCC)c3ccc([nH]3)c(CCC)c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin?
The InChIKey is JNYYHJHABCSFID-KEBMOAGCSA-N. The full InChI is InChI=1S/C32H38N4/c1-5-9-21-25-13-15-27(33-25)22(10-6-2)29-17-19-31(35-29)24(12-8-4)32-20-18-30(36-32)23(11-7-3)28-16-14-26(21)34-28/h13-20,33-34H,5-12H2,1-4H3/b25-21-,26-21-,27-22-,28-23-,29-22-,30-23-,31-24-,32-24-.
What are the key properties of 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin?
5,10,15,20-tetrapropyl-21,22-dihydroporphyrin has a molecular weight of 478.68 g/mol, XLogP of 8.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrapropyl-21,22-dihydroporphyrin is sourced from PubChem (CID 14029498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).