7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin

C30H21F5N4 — CID 87256907

IUPAC7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin
SMILESCc1c(C)c2c(C)c3nc(c(F)c4c(F)c(-c5ccccc5)c(cc5nc(cc1n2C)C=C5)n4F)C(F)=C3F
InChIInChI=1S/C30H21F5N4/c1-14-15(2)29-16(3)27-24(32)25(33)28(37-27)26(34)30-23(31)22(17-8-6-5-7-9-17)21(39(30)35)13-19-11-10-18(36-19)12-20(14)38(29)4/h5-13H,1-4H3/b18-12-,19-13-,20-12-,21-13-,27-16-,28-26+,29-16-,30-26+
InChIKeyHXLWZGYRPQIGBB-AOVTZHEZSA-N
MW532.52 g/mol
LogP8.34
Rot. Bonds1

About 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin

7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin (PubChem CID 87256907) has the molecular formula C30H21F5N4 and a molecular weight of 532.52 g/mol. Its IUPAC name is 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin.

Molecular Properties

Compound Name7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin
PubChem CID87256907
Molecular FormulaC30H21F5N4
Molecular Weight532.52 g/mol
Exact Mass532.17
IUPAC Name7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin
SMILESCc1c(C)c2c(C)c3nc(c(F)c4c(F)c(-c5ccccc5)c(cc5nc(cc1n2C)C=C5)n4F)C(F)=C3F
InChIInChI=1S/C30H21F5N4/c1-14-15(2)29-16(3)27-24(32)25(33)28(37-27)26(34)30-23(31)22(17-8-6-5-7-9-17)21(39(30)35)13-19-11-10-18(36-19)12-20(14)38(29)4/h5-13H,1-4H3/b18-12-,19-13-,20-12-,21-13-,27-16-,28-26+,29-16-,30-26+
InChIKeyHXLWZGYRPQIGBB-AOVTZHEZSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.52
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
(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
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-phenyl)-porphyrin
CID 14227551
1-Methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
CID 155565853
4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
CID 162643901
4-[5,15-bis(2,3,5,6-tetrafluorophenyl)-22,23-dihydro-21H-corrin-10-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
CID 162648266
15-(1-Methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 16084924
5-Phenyl-21,22-dihydroporphyrin
CID 137628940
Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III)
CID 91864721
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2-fluoro-phenyl)-porphyrin
CID 14227550

Frequently Asked Questions

What is the IUPAC name of 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin?
The IUPAC name of 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin (CID 87256907) is 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin.
What is the SMILES notation for 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin?
The canonical SMILES for 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin is Cc1c(C)c2c(C)c3nc(c(F)c4c(F)c(-c5ccccc5)c(cc5nc(cc1n2C)C=C5)n4F)C(F)=C3F.
What is the InChIKey of 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin?
The InChIKey is HXLWZGYRPQIGBB-AOVTZHEZSA-N. The full InChI is InChI=1S/C30H21F5N4/c1-14-15(2)29-16(3)27-24(32)25(33)28(37-27)26(34)30-23(31)22(17-8-6-5-7-9-17)21(39(30)35)13-19-11-10-18(36-19)12-20(14)38(29)4/h5-13H,1-4H3/b18-12-,19-13-,20-12-,21-13-,27-16-,28-26+,29-16-,30-26+.
What are the key properties of 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin?
7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin has a molecular weight of 532.52 g/mol, XLogP of 8.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10,12,23-pentafluoro-2,3,5,21-tetramethyl-13-phenylporphyrin is sourced from PubChem (CID 87256907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).