5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin

C30H22F6N8 — CID 91456430

IUPAC5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESCn1ccnc1C1=c2ccc([nH]2)=C(C(F)(F)F)c2ccc([nH]2)C(c2nccn2C)=c2ccc([nH]2)=C(C(F)(F)F)c2ccc1[nH]2
InChIInChI=1S/C30H22F6N8/c1-43-13-11-37-27(43)23-15-3-7-19(39-15)25(29(31,32)33)21-9-5-17(41-21)24(28-38-12-14-44(28)2)18-6-10-22(42-18)26(30(34,35)36)20-8-4-16(23)40-20/h3-14,39-42H,1-2H3
InChIKeyOGZSCRWRUXXEJT-UHFFFAOYSA-N
MW608.55 g/mol
LogP2.80
Rot. Bonds2

About 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin

5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91456430) has the molecular formula C30H22F6N8 and a molecular weight of 608.55 g/mol. Its IUPAC name is 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91456430
Molecular FormulaC30H22F6N8
Molecular Weight608.55 g/mol
Exact Mass608.19
IUPAC Name5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESCn1ccnc1C1=c2ccc([nH]2)=C(C(F)(F)F)c2ccc([nH]2)C(c2nccn2C)=c2ccc([nH]2)=C(C(F)(F)F)c2ccc1[nH]2
InChIInChI=1S/C30H22F6N8/c1-43-13-11-37-27(43)23-15-3-7-19(39-15)25(29(31,32)33)21-9-5-17(41-21)24(28-38-12-14-44(28)2)18-6-10-22(42-18)26(30(34,35)36)20-8-4-16(23)40-20/h3-14,39-42H,1-2H3
InChIKeyOGZSCRWRUXXEJT-UHFFFAOYSA-N
XLogP2.80
TPSA98.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.55
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Aeol-10150
CID 10373834
1-Methyl-2-[3-methyl-2-(3-methylimidazol-4-yl)imidazol-4-yl]-5-(1-methyl-5-phenylimidazol-2-yl)imidazole
CID 145969348
2'-butyl-1-(2-pyridin-2-ylethyl)-1H,1'H-2,4'-biimidazole
CID 56745840
2-butyl-3'-[2-(1-methylpyrrolidin-2-yl)ethyl]-5'-phenyl-1H,3'H-4,4'-biimidazole
CID 50955594
2-butyl-3'-[3-(1H-imidazol-1-yl)propyl]-5'-phenyl-1H,3'H-4,4'-biimidazole
CID 50955141
AEOL-10150 pentachloride
CID 42609702
5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 90713413
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
Bis(imidazolyl)porphyrin
CID 129655504
Tetra-imidazolyl porphyrin
CID 135536062
5,15-Bis(1-methylimidazol-2-yl)porphyrin
CID 135750035
3'-ethyl-3-[2-(1H-imidazol-4-yl)ethyl]-5-phenyl-3H,3'H-4,4'-biimidazole
CID 50977981

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (CID 91456430) is 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is Cn1ccnc1C1=c2ccc([nH]2)=C(C(F)(F)F)c2ccc([nH]2)C(c2nccn2C)=c2ccc([nH]2)=C(C(F)(F)F)c2ccc1[nH]2.
What is the InChIKey of 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is OGZSCRWRUXXEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F6N8/c1-43-13-11-37-27(43)23-15-3-7-19(39-15)25(29(31,32)33)21-9-5-17(41-21)24(28-38-12-14-44(28)2)18-6-10-22(42-18)26(30(34,35)36)20-8-4-16(23)40-20/h3-14,39-42H,1-2H3.
What are the key properties of 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 608.55 g/mol, XLogP of 2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(1-methylimidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91456430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).