2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin

C34H25FN8 — CID 141029881

IUPAC2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin
SMILESCn1ccnc1-c1c2nc(cc3cc(-c4ccc(F)cc4)c([nH]3)c(-c3nccn3C)c3nc(cc4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C34H25FN8/c1-42-15-13-36-33(42)30-27-10-7-22(38-27)17-23-9-12-29(40-23)31(34-37-14-16-43(34)2)32-26(20-3-5-21(35)6-4-20)19-25(41-32)18-24-8-11-28(30)39-24/h3-19,38,41H,1-2H3/b22-17-,23-17-,24-18-,25-18-,30-27+,30-28+,31-29+,32-31+
InChIKeyKARHMOBVMXGXPO-ULIIOHFUSA-N
MW564.63 g/mol
LogP7.26
Rot. Bonds3

About 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin

2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin (PubChem CID 141029881) has the molecular formula C34H25FN8 and a molecular weight of 564.63 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin
PubChem CID141029881
Molecular FormulaC34H25FN8
Molecular Weight564.63 g/mol
Exact Mass564.22
IUPAC Name2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin
SMILESCn1ccnc1-c1c2nc(cc3cc(-c4ccc(F)cc4)c([nH]3)c(-c3nccn3C)c3nc(cc4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C34H25FN8/c1-42-15-13-36-33(42)30-27-10-7-22(38-27)17-23-9-12-29(40-23)31(34-37-14-16-43(34)2)32-26(20-3-5-21(35)6-4-20)19-25(41-32)18-24-8-11-28(30)39-24/h3-19,38,41H,1-2H3/b22-17-,23-17-,24-18-,25-18-,30-27+,30-28+,31-29+,32-31+
InChIKeyKARHMOBVMXGXPO-ULIIOHFUSA-N
XLogP7.26
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.63
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471832
3-(1H-benzimidazol-2-yl)-5-phenyl-1-(4-pyridyl)pyrrol-2-amine
CID 71455977
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-bis(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71459516
7-(3-fluorophenyl)-N,1-dimethyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine
CID 44187181
4-((S)-5-((1H-imidazol-1-yl)methyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-N-cyclobutylpyrimidin-2-amine
CID 44444991
7-(4-fluorophenyl)-N,1-dimethyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine
CID 45271427
7-(2-fluorophenyl)-N,1-dimethyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine
CID 45273193
3-[(3R)-1-benzylpyrrolidin-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394916
3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole
CID 138691366
3-(3-ethylimidazol-4-yl)-4-fluoro-1H-indole
CID 139488518
3-[[5-(2,2-dimethylpropyl)-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 142471733
Nortopsentin D
CID 9882728

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin?
The IUPAC name of 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin (CID 141029881) is 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin.
What is the SMILES notation for 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin?
The canonical SMILES for 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin is Cn1ccnc1-c1c2nc(cc3cc(-c4ccc(F)cc4)c([nH]3)c(-c3nccn3C)c3nc(cc4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin?
The InChIKey is KARHMOBVMXGXPO-ULIIOHFUSA-N. The full InChI is InChI=1S/C34H25FN8/c1-42-15-13-36-33(42)30-27-10-7-22(38-27)17-23-9-12-29(40-23)31(34-37-14-16-43(34)2)32-26(20-3-5-21(35)6-4-20)19-25(41-32)18-24-8-11-28(30)39-24/h3-19,38,41H,1-2H3/b22-17-,23-17-,24-18-,25-18-,30-27+,30-28+,31-29+,32-31+.
What are the key properties of 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin?
2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin has a molecular weight of 564.63 g/mol, XLogP of 7.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,23-dihydroporphyrin is sourced from PubChem (CID 141029881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).