9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole

C38H22F4N4 — CID 58750716

IUPAC9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole
SMILESFc1c(F)c(-n2c3ccccc3c3ccncc32)c(F)c(F)c1-n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H22F4N4/c39-30-32(41)37(33(42)31(40)36(30)45-28-19-11-10-18-26(28)27-20-21-43-22-29(27)45)46-35(24-14-6-2-7-15-24)34(23-12-4-1-5-13-23)44-38(46)25-16-8-3-9-17-25/h1-22H
InChIKeyGZHUVBPUZISVQY-UHFFFAOYSA-N
MW610.61 g/mol
LogP9.92
Rot. Bonds5

About 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole

9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole (PubChem CID 58750716) has the molecular formula C38H22F4N4 and a molecular weight of 610.61 g/mol. Its IUPAC name is 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole
PubChem CID58750716
Molecular FormulaC38H22F4N4
Molecular Weight610.61 g/mol
Exact Mass610.18
IUPAC Name9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole
SMILESFc1c(F)c(-n2c3ccccc3c3ccncc32)c(F)c(F)c1-n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H22F4N4/c39-30-32(41)37(33(42)31(40)36(30)45-28-19-11-10-18-26(28)27-20-21-43-22-29(27)45)46-35(24-14-6-2-7-15-24)34(23-12-4-1-5-13-23)44-38(46)25-16-8-3-9-17-25/h1-22H
InChIKeyGZHUVBPUZISVQY-UHFFFAOYSA-N
XLogP9.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.61
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole (CID 58750716) is 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole is Fc1c(F)c(-n2c3ccccc3c3ccncc32)c(F)c(F)c1-n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole?
The InChIKey is GZHUVBPUZISVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F4N4/c39-30-32(41)37(33(42)31(40)36(30)45-28-19-11-10-18-26(28)27-20-21-43-22-29(27)45)46-35(24-14-6-2-7-15-24)34(23-12-4-1-5-13-23)44-38(46)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole?
9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole has a molecular weight of 610.61 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3,5,6-tetrafluoro-4-(2,4,5-triphenylimidazol-1-yl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 58750716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).