2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile

C53H30F3N5O — CID 155327205

IUPAC2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3nccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)cc5c34)n2)cc1
InChIInChI=1S/C53H30F3N5O/c54-53(55,56)38-20-22-39(23-21-38)61-46-13-7-6-12-41(46)42-28-35(18-24-47(42)61)36-19-25-48-43(29-36)50-49(62-48)26-27-58-51(50)52-59-44(33-8-2-1-3-9-33)30-45(60-52)34-16-14-32(15-17-34)40-11-5-4-10-37(40)31-57/h1-30H
InChIKeyZYKFNOOTFNIMFR-UHFFFAOYSA-N
MW809.85 g/mol
LogP14.09
Rot. Bonds6

About 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile

2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile (PubChem CID 155327205) has the molecular formula C53H30F3N5O and a molecular weight of 809.85 g/mol. Its IUPAC name is 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile
PubChem CID155327205
Molecular FormulaC53H30F3N5O
Molecular Weight809.85 g/mol
Exact Mass809.24
IUPAC Name2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3nccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)cc5c34)n2)cc1
InChIInChI=1S/C53H30F3N5O/c54-53(55,56)38-20-22-39(23-21-38)61-46-13-7-6-12-41(46)42-28-35(18-24-47(42)61)36-19-25-48-43(29-36)50-49(62-48)26-27-58-51(50)52-59-44(33-8-2-1-3-9-33)30-45(60-52)34-16-14-32(15-17-34)40-11-5-4-10-37(40)31-57/h1-30H
InChIKeyZYKFNOOTFNIMFR-UHFFFAOYSA-N
XLogP14.09
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.85
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile with MolForge

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Related Compounds

4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(pyridin-2-yl)piperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile
CID 45485766
9,13,17,19,23-Pentakis(trifluoromethyl)-18-oxa-3,12,14,22,24-pentazaheptacyclo[13.9.2.02,10.03,8.011,26.016,20.021,25]hexacosa-1,4,6,8,10,12,14,16,19,21,23,25-dodecaene
CID 72190663
3-((5-(4-(Tertbutyl)pyridin-2-yl)-5h-benzofuro[3,2-c]carbazol-3-yl)oxy) aniline
CID 176783564
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyrimidin-2-ylindole
CID 10174651
4-[Amino-[7-(3-fluorophenyl)-5-pyridin-3-yl-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile
CID 10413604
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993190
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993243
3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethyl-6-phenylmethoxyindole-1-carboxamide
CID 18993247
2-[5-[(2-Butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-fluoro-1-benzofuran-2-yl]benzonitrile
CID 67880830
2-[4-[8-(1-Benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]acetonitrile
CID 69157327
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
3-[4-[8-(1-Benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 69157567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile (CID 155327205) is 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3nccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)cc5c34)n2)cc1.
What is the InChIKey of 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile?
The InChIKey is ZYKFNOOTFNIMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30F3N5O/c54-53(55,56)38-20-22-39(23-21-38)61-46-13-7-6-12-41(46)42-28-35(18-24-47(42)61)36-19-25-48-43(29-36)50-49(62-48)26-27-58-51(50)52-59-44(33-8-2-1-3-9-33)30-45(60-52)34-16-14-32(15-17-34)40-11-5-4-10-37(40)31-57/h1-30H.
What are the key properties of 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile?
2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile has a molecular weight of 809.85 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-phenyl-2-[8-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]pyridin-1-yl]pyrimidin-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 155327205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).