5,15-bis(2,6-difluorophenyl)porphyrin

C32H16F4N4 — CID 135345476

IUPAC5,15-bis(2,6-difluorophenyl)porphyrin
SMILESFc1cccc(F)c1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2c(F)cccc2F)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C32H16F4N4/c33-21-3-1-4-22(34)29(21)31-25-11-7-17(37-25)15-19-9-13-27(39-19)32(30-23(35)5-2-6-24(30)36)28-14-10-20(40-28)16-18-8-12-26(31)38-18/h1-16H/b17-15-,18-16-,19-15-,20-16-,31-25+,31-26+,32-27+,32-28+
InChIKeyWLZZQWSNRUQMQR-VORMYCGHSA-N
MW532.50 g/mol
LogP7.19
Rot. Bonds2

About 5,15-bis(2,6-difluorophenyl)porphyrin

5,15-bis(2,6-difluorophenyl)porphyrin (PubChem CID 135345476) has the molecular formula C32H16F4N4 and a molecular weight of 532.50 g/mol. Its IUPAC name is 5,15-bis(2,6-difluorophenyl)porphyrin.

Molecular Properties

Compound Name5,15-bis(2,6-difluorophenyl)porphyrin
PubChem CID135345476
Molecular FormulaC32H16F4N4
Molecular Weight532.50 g/mol
Exact Mass532.13
IUPAC Name5,15-bis(2,6-difluorophenyl)porphyrin
SMILESFc1cccc(F)c1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2c(F)cccc2F)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C32H16F4N4/c33-21-3-1-4-22(34)29(21)31-25-11-7-17(37-25)15-19-9-13-27(39-19)32(30-23(35)5-2-6-24(30)36)28-14-10-20(40-28)16-18-8-12-26(31)38-18/h1-16H/b17-15-,18-16-,19-15-,20-16-,31-25+,31-26+,32-27+,32-28+
InChIKeyWLZZQWSNRUQMQR-VORMYCGHSA-N
XLogP7.19
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.50
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2,6-difluorophenyl)porphyrin?
The IUPAC name of 5,15-bis(2,6-difluorophenyl)porphyrin (CID 135345476) is 5,15-bis(2,6-difluorophenyl)porphyrin.
What is the SMILES notation for 5,15-bis(2,6-difluorophenyl)porphyrin?
The canonical SMILES for 5,15-bis(2,6-difluorophenyl)porphyrin is Fc1cccc(F)c1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2c(F)cccc2F)=C2/C=CC(=N2)/C=C2/C=CC1=N2.
What is the InChIKey of 5,15-bis(2,6-difluorophenyl)porphyrin?
The InChIKey is WLZZQWSNRUQMQR-VORMYCGHSA-N. The full InChI is InChI=1S/C32H16F4N4/c33-21-3-1-4-22(34)29(21)31-25-11-7-17(37-25)15-19-9-13-27(39-19)32(30-23(35)5-2-6-24(30)36)28-14-10-20(40-28)16-18-8-12-26(31)38-18/h1-16H/b17-15-,18-16-,19-15-,20-16-,31-25+,31-26+,32-27+,32-28+.
What are the key properties of 5,15-bis(2,6-difluorophenyl)porphyrin?
5,15-bis(2,6-difluorophenyl)porphyrin has a molecular weight of 532.50 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2,6-difluorophenyl)porphyrin is sourced from PubChem (CID 135345476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).