10-iodo-5,15-diphenylporphyrin

C32H19IN4 — CID 67712200

IUPAC10-iodo-5,15-diphenylporphyrin
SMILESI/C1=C2\C=CC(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC1=N2
InChIInChI=1S/C32H19IN4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeyCPWZHNXPCRIWQN-BRZPQLSBSA-N
MW586.44 g/mol
LogP7.40
Rot. Bonds2

About 10-iodo-5,15-diphenylporphyrin

10-iodo-5,15-diphenylporphyrin (PubChem CID 67712200) has the molecular formula C32H19IN4 and a molecular weight of 586.44 g/mol. Its IUPAC name is 10-iodo-5,15-diphenylporphyrin.

Molecular Properties

Compound Name10-iodo-5,15-diphenylporphyrin
PubChem CID67712200
Molecular FormulaC32H19IN4
Molecular Weight586.44 g/mol
Exact Mass586.07
IUPAC Name10-iodo-5,15-diphenylporphyrin
SMILESI/C1=C2\C=CC(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC1=N2
InChIInChI=1S/C32H19IN4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeyCPWZHNXPCRIWQN-BRZPQLSBSA-N
XLogP7.40
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.44
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-iodo-5,15-diphenylporphyrin?
The IUPAC name of 10-iodo-5,15-diphenylporphyrin (CID 67712200) is 10-iodo-5,15-diphenylporphyrin.
What is the SMILES notation for 10-iodo-5,15-diphenylporphyrin?
The canonical SMILES for 10-iodo-5,15-diphenylporphyrin is I/C1=C2\C=CC(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC1=N2.
What is the InChIKey of 10-iodo-5,15-diphenylporphyrin?
The InChIKey is CPWZHNXPCRIWQN-BRZPQLSBSA-N. The full InChI is InChI=1S/C32H19IN4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+.
What are the key properties of 10-iodo-5,15-diphenylporphyrin?
10-iodo-5,15-diphenylporphyrin has a molecular weight of 586.44 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-5,15-diphenylporphyrin is sourced from PubChem (CID 67712200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).