10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin

C34H20F6N4 — CID 10723040

IUPAC10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
SMILESFC(F)(F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)F)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2
InChIInChI=1S/C34H20F6N4/c35-33(36,37)31-25-15-11-21(41-25)29(19-7-3-1-4-8-19)22-12-16-26(42-22)32(34(38,39)40)28-18-14-24(44-28)30(20-9-5-2-6-10-20)23-13-17-27(31)43-23/h1-18,41,43H/b29-21-,29-22-,30-23-,30-24-,31-25+,31-27+,32-26+,32-28+
InChIKeyLZQZQJTUVXHCLC-IBRKNYKGSA-N
MW598.55 g/mol
LogP10.03
Rot. Bonds2

About 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin

10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin (PubChem CID 10723040) has the molecular formula C34H20F6N4 and a molecular weight of 598.55 g/mol. Its IUPAC name is 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
PubChem CID10723040
Molecular FormulaC34H20F6N4
Molecular Weight598.55 g/mol
Exact Mass598.16
IUPAC Name10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
SMILESFC(F)(F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)F)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2
InChIInChI=1S/C34H20F6N4/c35-33(36,37)31-25-15-11-21(41-25)29(19-7-3-1-4-8-19)22-12-16-26(42-22)32(34(38,39)40)28-18-14-24(44-28)30(20-9-5-2-6-10-20)23-13-17-27(31)43-23/h1-18,41,43H/b29-21-,29-22-,30-23-,30-24-,31-25+,31-27+,32-26+,32-28+
InChIKeyLZQZQJTUVXHCLC-IBRKNYKGSA-N
XLogP10.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.55
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
5,10,15,20-tetrakis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10099782
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2,7,12,17,22,27,32,37,42,47-decakis(trifluoromethyl)-51,52,53,54,55,56,57,58,59,60-decazaundecacyclo[46.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36.138,41.143,46]hexaconta-1(51),2,4,6,8,10,12,14,16(58),17,19,21,23(56),24,26,28,30,32,34,36,38(53),39,41,43,45,47,49-heptacosaene
CID 136859231
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5-bromo-10,20-diphenyl-15-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-21,22-dihydroporphyrin
CID 11665098
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-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
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 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin?
The IUPAC name of 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin (CID 10723040) is 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin?
The canonical SMILES for 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin is FC(F)(F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)F)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2.
What is the InChIKey of 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin?
The InChIKey is LZQZQJTUVXHCLC-IBRKNYKGSA-N. The full InChI is InChI=1S/C34H20F6N4/c35-33(36,37)31-25-15-11-21(41-25)29(19-7-3-1-4-8-19)22-12-16-26(42-22)32(34(38,39)40)28-18-14-24(44-28)30(20-9-5-2-6-10-20)23-13-17-27(31)43-23/h1-18,41,43H/b29-21-,29-22-,30-23-,30-24-,31-25+,31-27+,32-26+,32-28+.
What are the key properties of 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin?
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin has a molecular weight of 598.55 g/mol, XLogP of 10.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 10723040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).