2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole

C39H23F2N3 — CID 171118274

IUPAC2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole
SMILESFc1cc(F)cc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c4ccccc4c4ccccc4c32)c1
InChIInChI=1S/C39H23F2N3/c40-25-21-26(41)23-28(22-25)44-38-34-14-4-2-10-30(34)29-9-1-3-13-33(29)37(38)42-39(44)24-17-19-27(20-18-24)43-35-15-7-5-11-31(35)32-12-6-8-16-36(32)43/h1-23H
InChIKeyIVKHAVBVFGKEAY-UHFFFAOYSA-N
MW571.63 g/mol
LogP10.37
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole

2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole (PubChem CID 171118274) has the molecular formula C39H23F2N3 and a molecular weight of 571.63 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole
PubChem CID171118274
Molecular FormulaC39H23F2N3
Molecular Weight571.63 g/mol
Exact Mass571.19
IUPAC Name2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole
SMILESFc1cc(F)cc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c4ccccc4c4ccccc4c32)c1
InChIInChI=1S/C39H23F2N3/c40-25-21-26(41)23-28(22-25)44-38-34-14-4-2-10-30(34)29-9-1-3-13-33(29)37(38)42-39(44)24-17-19-27(20-18-24)43-35-15-7-5-11-31(35)32-12-6-8-16-36(32)43/h1-23H
InChIKeyIVKHAVBVFGKEAY-UHFFFAOYSA-N
XLogP10.37
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.63
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole (CID 171118274) is 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole is Fc1cc(F)cc(-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c4ccccc4c4ccccc4c32)c1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole?
The InChIKey is IVKHAVBVFGKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F2N3/c40-25-21-26(41)23-28(22-25)44-38-34-14-4-2-10-30(34)29-9-1-3-13-33(29)37(38)42-39(44)24-17-19-27(20-18-24)43-35-15-7-5-11-31(35)32-12-6-8-16-36(32)43/h1-23H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole?
2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole has a molecular weight of 571.63 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-3-(3,5-difluorophenyl)phenanthro[9,10-d]imidazole is sourced from PubChem (CID 171118274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).