5,10,15,20-tetra(propan-2-yl)porphyrin

C32H36N4 — CID 67221007

IUPAC5,10,15,20-tetra(propan-2-yl)porphyrin
SMILESCC(C)/C1=C2\C=CC(=N2)/C(C(C)C)=C2/C=CC(=N2)/C(C(C)C)=C2/C=CC(=N2)/C(C(C)C)=C2/C=CC1=N2
InChIInChI=1S/C32H36N4/c1-17(2)29-21-9-11-23(33-21)30(18(3)4)25-13-15-27(35-25)32(20(7)8)28-16-14-26(36-28)31(19(5)6)24-12-10-22(29)34-24/h9-20H,1-8H3/b29-21-,29-22-,30-23-,30-25-,31-24-,31-26-,32-27-,32-28-
InChIKeyVNFZNFJATBKJLZ-LJRGVBPOSA-N
MW476.67 g/mol
LogP7.68
Rot. Bonds4

About 5,10,15,20-tetra(propan-2-yl)porphyrin

5,10,15,20-tetra(propan-2-yl)porphyrin (PubChem CID 67221007) has the molecular formula C32H36N4 and a molecular weight of 476.67 g/mol. Its IUPAC name is 5,10,15,20-tetra(propan-2-yl)porphyrin.

Molecular Properties

Compound Name5,10,15,20-tetra(propan-2-yl)porphyrin
PubChem CID67221007
Molecular FormulaC32H36N4
Molecular Weight476.67 g/mol
Exact Mass476.29
IUPAC Name5,10,15,20-tetra(propan-2-yl)porphyrin
SMILESCC(C)/C1=C2\C=CC(=N2)/C(C(C)C)=C2/C=CC(=N2)/C(C(C)C)=C2/C=CC(=N2)/C(C(C)C)=C2/C=CC1=N2
InChIInChI=1S/C32H36N4/c1-17(2)29-21-9-11-23(33-21)30(18(3)4)25-13-15-27(35-25)32(20(7)8)28-16-14-26(36-28)31(19(5)6)24-12-10-22(29)34-24/h9-20H,1-8H3/b29-21-,29-22-,30-23-,30-25-,31-24-,31-26-,32-27-,32-28-
InChIKeyVNFZNFJATBKJLZ-LJRGVBPOSA-N
XLogP7.68
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetra(propan-2-yl)porphyrin?
The IUPAC name of 5,10,15,20-tetra(propan-2-yl)porphyrin (CID 67221007) is 5,10,15,20-tetra(propan-2-yl)porphyrin.
What is the SMILES notation for 5,10,15,20-tetra(propan-2-yl)porphyrin?
The canonical SMILES for 5,10,15,20-tetra(propan-2-yl)porphyrin is CC(C)/C1=C2\C=CC(=N2)/C(C(C)C)=C2/C=CC(=N2)/C(C(C)C)=C2/C=CC(=N2)/C(C(C)C)=C2/C=CC1=N2.
What is the InChIKey of 5,10,15,20-tetra(propan-2-yl)porphyrin?
The InChIKey is VNFZNFJATBKJLZ-LJRGVBPOSA-N. The full InChI is InChI=1S/C32H36N4/c1-17(2)29-21-9-11-23(33-21)30(18(3)4)25-13-15-27(35-25)32(20(7)8)28-16-14-26(36-28)31(19(5)6)24-12-10-22(29)34-24/h9-20H,1-8H3/b29-21-,29-22-,30-23-,30-25-,31-24-,31-26-,32-27-,32-28-.
What are the key properties of 5,10,15,20-tetra(propan-2-yl)porphyrin?
5,10,15,20-tetra(propan-2-yl)porphyrin has a molecular weight of 476.67 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetra(propan-2-yl)porphyrin is sourced from PubChem (CID 67221007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).