2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C44H28ClFN4 — CID 141491360

IUPAC2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESFc1c(Cl)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C44H28ClFN4/c45-41-42(46)44-40(30-19-11-4-12-20-30)36-26-24-34(49-36)38(28-15-7-2-8-16-28)32-22-21-31(47-32)37(27-13-5-1-6-14-27)33-23-25-35(48-33)39(43(41)50-44)29-17-9-3-10-18-29/h1-26,47,50H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40-
InChIKeySSCDQERIYATAPU-RBYGIERKSA-N
MW667.19 g/mol
LogP12.12
Rot. Bonds4

About 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 141491360) has the molecular formula C44H28ClFN4 and a molecular weight of 667.19 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID141491360
Molecular FormulaC44H28ClFN4
Molecular Weight667.19 g/mol
Exact Mass666.20
IUPAC Name2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESFc1c(Cl)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C44H28ClFN4/c45-41-42(46)44-40(30-19-11-4-12-20-30)36-26-24-34(49-36)38(28-15-7-2-8-16-28)32-22-21-31(47-32)37(27-13-5-1-6-14-27)33-23-25-35(48-33)39(43(41)50-44)29-17-9-3-10-18-29/h1-26,47,50H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40-
InChIKeySSCDQERIYATAPU-RBYGIERKSA-N
XLogP12.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.19
LogP ≤ 512.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin
CID 175511184
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
zinc;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 173229140
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
2,13,24-tris(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30-hexakis-phenyl-34,35,36,37,38,39-hexazaheptacyclo[29.2.1.13,6.19,12.114,17.120,23.125,28]nonatriaconta-1(34),2,4,6,8,10,12(38),13,15,17,19,21,23(36),24,26,28,30,32-octadecaene
CID 177390418
15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
CID 70656299
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5-bromo-10,20-bis(2,3,4,5,6-pentafluorophenyl)-15-phenyl-21,23-dihydroporphyrin
CID 136777623
CID 169095894
CID 169095894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 141491360) is 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is Fc1c(Cl)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is SSCDQERIYATAPU-RBYGIERKSA-N. The full InChI is InChI=1S/C44H28ClFN4/c45-41-42(46)44-40(30-19-11-4-12-20-30)36-26-24-34(49-36)38(28-15-7-2-8-16-28)32-22-21-31(47-32)37(27-13-5-1-6-14-27)33-23-25-35(48-33)39(43(41)50-44)29-17-9-3-10-18-29/h1-26,47,50H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40-.
What are the key properties of 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 667.19 g/mol, XLogP of 12.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 141491360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).