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

C28H18F6N8 — CID 91093621

IUPAC5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)C1=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc([nH]2)C(C(F)(F)F)=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc1[nH]2
InChIInChI=1S/C28H18F6N8/c29-27(30,31)23-17-5-1-13(39-17)21(25-35-9-10-36-25)14-2-6-19(40-14)24(28(32,33)34)20-8-4-16(42-20)22(26-37-11-12-38-26)15-3-7-18(23)41-15/h1-12,39-42H,(H,35,36)(H,37,38)
InChIKeyBGIFUEPGEAWLBR-UHFFFAOYSA-N
MW580.50 g/mol
LogP2.78
Rot. Bonds2

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

5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91093621) has the molecular formula C28H18F6N8 and a molecular weight of 580.50 g/mol. Its IUPAC name is 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91093621
Molecular FormulaC28H18F6N8
Molecular Weight580.50 g/mol
Exact Mass580.16
IUPAC Name5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)C1=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc([nH]2)C(C(F)(F)F)=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc1[nH]2
InChIInChI=1S/C28H18F6N8/c29-27(30,31)23-17-5-1-13(39-17)21(25-35-9-10-36-25)14-2-6-19(40-14)24(28(32,33)34)20-8-4-16(42-20)22(26-37-11-12-38-26)15-3-7-18(23)41-15/h1-12,39-42H,(H,35,36)(H,37,38)
InChIKeyBGIFUEPGEAWLBR-UHFFFAOYSA-N
XLogP2.78
TPSA120.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.50
LogP ≤ 52.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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Related Compounds

Aeol-10150
CID 10373834
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5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
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5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
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Bis(imidazolyl)porphyrin
CID 129655504
Tetra-imidazolyl porphyrin
CID 135536062
5,15-Bis(1-methylimidazol-2-yl)porphyrin
CID 135750035
2-(2-{1-[2-(1H-imidazol-4-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}-1H-pyrrol-1-yl)pyridine
CID 50980515
2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 24896871
5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine
CID 24948871
2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine
CID 24950147
5-[2-fluoro-4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 57610928

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (CID 91093621) is 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is FC(F)(F)C1=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc([nH]2)C(C(F)(F)F)=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc1[nH]2.
What is the InChIKey of 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is BGIFUEPGEAWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F6N8/c29-27(30,31)23-17-5-1-13(39-17)21(25-35-9-10-36-25)14-2-6-19(40-14)24(28(32,33)34)20-8-4-16(42-20)22(26-37-11-12-38-26)15-3-7-18(23)41-15/h1-12,39-42H,(H,35,36)(H,37,38).
What are the key properties of 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 580.50 g/mol, XLogP of 2.78, 2 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(1H-imidazol-2-yl)-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91093621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).