1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine

C44H25F2N5O — CID 163477285

IUPAC1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4nccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)c3)n2)cc1
InChIInChI=1S/C44H25F2N5O/c45-30-16-12-26(13-17-30)42-48-43(27-14-18-31(46)19-15-27)50-44(49-42)29-7-5-6-28(24-29)40-41-35(22-23-47-40)36-25-32(20-21-39(36)52-41)51-37-10-3-1-8-33(37)34-9-2-4-11-38(34)51/h1-25H
InChIKeyCBNXRXDRLATGJQ-UHFFFAOYSA-N
MW677.71 g/mol
LogP11.21
Rot. Bonds5

About 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine

1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 163477285) has the molecular formula C44H25F2N5O and a molecular weight of 677.71 g/mol. Its IUPAC name is 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID163477285
Molecular FormulaC44H25F2N5O
Molecular Weight677.71 g/mol
Exact Mass677.20
IUPAC Name1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4nccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)c3)n2)cc1
InChIInChI=1S/C44H25F2N5O/c45-30-16-12-26(13-17-30)42-48-43(27-14-18-31(46)19-15-27)50-44(49-42)29-7-5-6-28(24-29)40-41-35(22-23-47-40)36-25-32(20-21-39(36)52-41)51-37-10-3-1-8-33(37)34-9-2-4-11-38(34)51/h1-25H
InChIKeyCBNXRXDRLATGJQ-UHFFFAOYSA-N
XLogP11.21
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.71
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine (CID 163477285) is 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4nccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)c3)n2)cc1.
What is the InChIKey of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is CBNXRXDRLATGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25F2N5O/c45-30-16-12-26(13-17-30)42-48-43(27-14-18-31(46)19-15-27)50-44(49-42)29-7-5-6-28(24-29)40-41-35(22-23-47-40)36-25-32(20-21-39(36)52-41)51-37-10-3-1-8-33(37)34-9-2-4-11-38(34)51/h1-25H.
What are the key properties of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine?
1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 677.71 g/mol, XLogP of 11.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163477285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).