2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole

C39H23FN4O — CID 140952252

IUPAC2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole
SMILESFC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c5ccccc5oc4c3n(-c3ccccn3)c2c1
InChIInChI=1S/C39H23FN4O/c40-36(23-12-14-25-26-7-1-3-9-32(26)43-20-19-42-39(43)31(25)21-23)24-13-15-27-29-16-17-30-28-8-2-4-10-34(28)45-38(30)37(29)44(33(27)22-24)35-11-5-6-18-41-35/h1-22,36H
InChIKeyIPJRZGWAZFFOSW-UHFFFAOYSA-N
MW582.64 g/mol
LogP10.09
Rot. Bonds3

About 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole

2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole (PubChem CID 140952252) has the molecular formula C39H23FN4O and a molecular weight of 582.64 g/mol. Its IUPAC name is 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole
PubChem CID140952252
Molecular FormulaC39H23FN4O
Molecular Weight582.64 g/mol
Exact Mass582.19
IUPAC Name2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole
SMILESFC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c5ccccc5oc4c3n(-c3ccccn3)c2c1
InChIInChI=1S/C39H23FN4O/c40-36(23-12-14-25-26-7-1-3-9-32(26)43-20-19-42-39(43)31(25)21-23)24-13-15-27-29-16-17-30-28-8-2-4-10-34(28)45-38(30)37(29)44(33(27)22-24)35-11-5-6-18-41-35/h1-22,36H
InChIKeyIPJRZGWAZFFOSW-UHFFFAOYSA-N
XLogP10.09
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.64
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
US20250346592, Example 125
CID 177774299
5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
2-[3-[4-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 58480069
2-[3-[4-[3,5-Bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 59439666
3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
6-(1,4,5,6-Tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine
CID 71533103
7-(1,4,5,6-Tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine
CID 71533111
5-N-[(3,5-difluorophenyl)methyl]-5-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-bis(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine
CID 91131170
5-[14-(N-dibenzofuran-4-ylanilino)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-N-(4-fluorophenyl)-N-phenylpyridin-2-amine
CID 117731076

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole (CID 140952252) is 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c5ccccc5oc4c3n(-c3ccccn3)c2c1.
What is the InChIKey of 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is IPJRZGWAZFFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4O/c40-36(23-12-14-25-26-7-1-3-9-32(26)43-20-19-42-39(43)31(25)21-23)24-13-15-27-29-16-17-30-28-8-2-4-10-34(28)45-38(30)37(29)44(33(27)22-24)35-11-5-6-18-41-35/h1-22,36H.
What are the key properties of 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole?
2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 582.64 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 140952252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).