2,3,5-triphenylporphyrin

C38H24N4 — CID 66954634

IUPAC2,3,5-triphenylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C\C1=N2)C=C5)C(c1ccccc1)=C4c1ccccc1)C=C3
InChIInChI=1S/C38H24N4/c1-4-10-25(11-5-1)35-34-24-32-19-18-29(40-32)22-28-16-17-30(39-28)23-31-20-21-33(41-31)36(26-12-6-2-7-13-26)38(42-34)37(35)27-14-8-3-9-15-27/h1-24H/b28-22-,29-22-,30-23-,31-23-,32-24-,34-24-,36-33-,38-36-
InChIKeyRWHPKOSXVGRIKD-ATZQJCMFSA-N
MW536.64 g/mol
LogP8.16
Rot. Bonds3

About 2,3,5-triphenylporphyrin

2,3,5-triphenylporphyrin (PubChem CID 66954634) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2,3,5-triphenylporphyrin.

Molecular Properties

Compound Name2,3,5-triphenylporphyrin
PubChem CID66954634
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name2,3,5-triphenylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C\C1=N2)C=C5)C(c1ccccc1)=C4c1ccccc1)C=C3
InChIInChI=1S/C38H24N4/c1-4-10-25(11-5-1)35-34-24-32-19-18-29(40-32)22-28-16-17-30(39-28)23-31-20-21-33(41-31)36(26-12-6-2-7-13-26)38(42-34)37(35)27-14-8-3-9-15-27/h1-24H/b28-22-,29-22-,30-23-,31-23-,32-24-,34-24-,36-33-,38-36-
InChIKeyRWHPKOSXVGRIKD-ATZQJCMFSA-N
XLogP8.16
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenylporphyrin?
The IUPAC name of 2,3,5-triphenylporphyrin (CID 66954634) is 2,3,5-triphenylporphyrin.
What is the SMILES notation for 2,3,5-triphenylporphyrin?
The canonical SMILES for 2,3,5-triphenylporphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C\C1=N2)C=C5)C(c1ccccc1)=C4c1ccccc1)C=C3.
What is the InChIKey of 2,3,5-triphenylporphyrin?
The InChIKey is RWHPKOSXVGRIKD-ATZQJCMFSA-N. The full InChI is InChI=1S/C38H24N4/c1-4-10-25(11-5-1)35-34-24-32-19-18-29(40-32)22-28-16-17-30(39-28)23-31-20-21-33(41-31)36(26-12-6-2-7-13-26)38(42-34)37(35)27-14-8-3-9-15-27/h1-24H/b28-22-,29-22-,30-23-,31-23-,32-24-,34-24-,36-33-,38-36-.
What are the key properties of 2,3,5-triphenylporphyrin?
2,3,5-triphenylporphyrin has a molecular weight of 536.64 g/mol, XLogP of 8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenylporphyrin is sourced from PubChem (CID 66954634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).