(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin

C48H28F12N4 — CID 102296625

IUPAC(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)c1c2[nH]c(c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1[nH]c(c(C(F)(F)F)c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C48H28F12N4/c49-45(50,51)37-38(46(52,53)54)42-35(27-17-9-3-10-18-27)31-23-24-32(62-31)36(28-19-11-4-12-20-28)44-40(48(58,59)60)39(47(55,56)57)43(64-44)34(26-15-7-2-8-16-26)30-22-21-29(61-30)33(41(37)63-42)25-13-5-1-6-14-25/h1-24,61-64H/b33-29-,34-30-,35-31-,36-32-,41-33-,42-35-,43-34-,44-36-
InChIKeyHVBIQJSXIGXUOT-QLCXEPOMSA-N
MW888.76 g/mol
LogP10.38
Rot. Bonds4

About (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin

(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 102296625) has the molecular formula C48H28F12N4 and a molecular weight of 888.76 g/mol. Its IUPAC name is (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID102296625
Molecular FormulaC48H28F12N4
Molecular Weight888.76 g/mol
Exact Mass888.21
IUPAC Name(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)c1c2[nH]c(c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1[nH]c(c(C(F)(F)F)c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C48H28F12N4/c49-45(50,51)37-38(46(52,53)54)42-35(27-17-9-3-10-18-27)31-23-24-32(62-31)36(28-19-11-4-12-20-28)44-40(48(58,59)60)39(47(55,56)57)43(64-44)34(26-15-7-2-8-16-26)30-22-21-29(61-30)33(41(37)63-42)25-13-5-1-6-14-25/h1-24,61-64H/b33-29-,34-30-,35-31-,36-32-,41-33-,42-35-,43-34-,44-36-
InChIKeyHVBIQJSXIGXUOT-QLCXEPOMSA-N
XLogP10.38
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.76
LogP ≤ 510.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
1H-Pyrrole, 2,3,4,5-tetraphenyl-
CID 76753
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
Tetraphenylporphyrin
CID 86280046
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777
Zinc, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-1)-
CID 6515536
2,3,5-Triphenyl-1H-pyrrole
CID 247126
Indoles
CID 139191468
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-phenyl)-porphyrin
CID 14227551
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-pentafluorophenyl-porphyrin
CID 3671775
5-(4-Aminophenyl)-10,15,20-triphenylporphyrin
CID 135423398

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (CID 102296625) is (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is FC(F)(F)c1c2[nH]c(c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1[nH]c(c(C(F)(F)F)c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1.
What is the InChIKey of (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is HVBIQJSXIGXUOT-QLCXEPOMSA-N. The full InChI is InChI=1S/C48H28F12N4/c49-45(50,51)37-38(46(52,53)54)42-35(27-17-9-3-10-18-27)31-23-24-32(62-31)36(28-19-11-4-12-20-28)44-40(48(58,59)60)39(47(55,56)57)43(64-44)34(26-15-7-2-8-16-26)30-22-21-29(61-30)33(41(37)63-42)25-13-5-1-6-14-25/h1-24,61-64H/b33-29-,34-30-,35-31-,36-32-,41-33-,42-35-,43-34-,44-36-.
What are the key properties of (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 888.76 g/mol, XLogP of 10.38, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 102296625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).