2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin

C44H24F8N4 — CID 54568080

IUPAC2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin
SMILESFc1c2[nH]c(c1F)C(c1ccccc1)=c1[nH]c(c(F)c1F)=C(c1ccccc1)c1[nH]c(c(F)c1F)C(c1ccccc1)=c1[nH]c(c(F)c1F)=C2c1ccccc1
InChIInChI=1S/C44H24F8N4/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21/h1-20,53-56H
InChIKeyFQPDAQDJVIGDNJ-UHFFFAOYSA-N
MW760.69 g/mol
LogP7.41
Rot. Bonds4

About 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin

2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 54568080) has the molecular formula C44H24F8N4 and a molecular weight of 760.69 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin
PubChem CID54568080
Molecular FormulaC44H24F8N4
Molecular Weight760.69 g/mol
Exact Mass760.19
IUPAC Name2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin
SMILESFc1c2[nH]c(c1F)C(c1ccccc1)=c1[nH]c(c(F)c1F)=C(c1ccccc1)c1[nH]c(c(F)c1F)C(c1ccccc1)=c1[nH]c(c(F)c1F)=C2c1ccccc1
InChIInChI=1S/C44H24F8N4/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21/h1-20,53-56H
InChIKeyFQPDAQDJVIGDNJ-UHFFFAOYSA-N
XLogP7.41
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.69
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
1H-Pyrrole, 2,3,4,5-tetraphenyl-
CID 76753
Platinum tetrakis(pentafluorophenyl)porphyrin
CID 5190808
1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole
CID 9883124
(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
Indoles
CID 139191468
5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II)
CID 3748741
(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
5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphine palladium(II)
CID 3867957

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin (CID 54568080) is 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin is Fc1c2[nH]c(c1F)C(c1ccccc1)=c1[nH]c(c(F)c1F)=C(c1ccccc1)c1[nH]c(c(F)c1F)C(c1ccccc1)=c1[nH]c(c(F)c1F)=C2c1ccccc1.
What is the InChIKey of 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is FQPDAQDJVIGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F8N4/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21/h1-20,53-56H.
What are the key properties of 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin?
2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 760.69 g/mol, XLogP of 7.41, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54568080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).