15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin

C26H16ClFN4 — CID 70656299

IUPAC15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
SMILESFc1c2nc(c(Cl)c3nc(c(-c4ccccc4)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C26H16ClFN4/c27-25-20-11-10-19(31-20)24(15-4-2-1-3-5-15)18-8-6-16(29-18)14-17-7-9-22(30-17)26(28)23-13-12-21(25)32-23/h1-14,29-30H/b16-14-,17-14-,24-18-,24-19-,25-20+,25-21+,26-22+,26-23+
InChIKeyCVYOBZPTYWMWNW-JMLOYAHWSA-N
MW438.89 g/mol
LogP7.12
Rot. Bonds1

About 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin

15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin (PubChem CID 70656299) has the molecular formula C26H16ClFN4 and a molecular weight of 438.89 g/mol. Its IUPAC name is 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
PubChem CID70656299
Molecular FormulaC26H16ClFN4
Molecular Weight438.89 g/mol
Exact Mass438.10
IUPAC Name15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
SMILESFc1c2nc(c(Cl)c3nc(c(-c4ccccc4)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C26H16ClFN4/c27-25-20-11-10-19(31-20)24(15-4-2-1-3-5-15)18-8-6-16(29-18)14-17-7-9-22(30-17)26(28)23-13-12-21(25)32-23/h1-14,29-30H/b16-14-,17-14-,24-18-,24-19-,25-20+,25-21+,26-22+,26-23+
InChIKeyCVYOBZPTYWMWNW-JMLOYAHWSA-N
XLogP7.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 141491360
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]aniline
CID 137251512
methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
CID 11364625
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
15-octylsulfanyl-10,20-diphenyl-21,22-dihydroporphyrin
CID 11433445
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

Frequently Asked Questions

What is the IUPAC name of 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin?
The IUPAC name of 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin (CID 70656299) is 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin is Fc1c2nc(c(Cl)c3nc(c(-c4ccccc4)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2.
What is the InChIKey of 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin?
The InChIKey is CVYOBZPTYWMWNW-JMLOYAHWSA-N. The full InChI is InChI=1S/C26H16ClFN4/c27-25-20-11-10-19(31-20)24(15-4-2-1-3-5-15)18-8-6-16(29-18)14-17-7-9-22(30-17)26(28)23-13-12-21(25)32-23/h1-14,29-30H/b16-14-,17-14-,24-18-,24-19-,25-20+,25-21+,26-22+,26-23+.
What are the key properties of 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin?
15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin has a molecular weight of 438.89 g/mol, XLogP of 7.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 70656299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).