5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole

C49H31FN2 — CID 59010681

IUPAC5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(-c1cccc(-c3ccccc3)c1)n2-c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C49H31FN2/c50-39-26-27-46-45(31-39)51-49(38-18-10-16-35(29-38)32-12-2-1-3-13-32)52(46)40-19-11-17-36(30-40)47-41-20-6-8-22-43(41)48(44-23-9-7-21-42(44)47)37-25-24-33-14-4-5-15-34(33)28-37/h1-31H
InChIKeyXVQRVTRTLDNCII-UHFFFAOYSA-N
MW666.80 g/mol
LogP13.29
Rot. Bonds5

About 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole

5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole (PubChem CID 59010681) has the molecular formula C49H31FN2 and a molecular weight of 666.80 g/mol. Its IUPAC name is 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole
PubChem CID59010681
Molecular FormulaC49H31FN2
Molecular Weight666.80 g/mol
Exact Mass666.25
IUPAC Name5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(-c1cccc(-c3ccccc3)c1)n2-c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C49H31FN2/c50-39-26-27-46-45(31-39)51-49(38-18-10-16-35(29-38)32-12-2-1-3-13-32)52(46)40-19-11-17-36(30-40)47-41-20-6-8-22-43(41)48(44-23-9-7-21-42(44)47)37-25-24-33-14-4-5-15-34(33)28-37/h1-31H
InChIKeyXVQRVTRTLDNCII-UHFFFAOYSA-N
XLogP13.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.80
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole?
The IUPAC name of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole (CID 59010681) is 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole.
What is the SMILES notation for 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole?
The canonical SMILES for 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole is Fc1ccc2c(c1)nc(-c1cccc(-c3ccccc3)c1)n2-c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole?
The InChIKey is XVQRVTRTLDNCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31FN2/c50-39-26-27-46-45(31-39)51-49(38-18-10-16-35(29-38)32-12-2-1-3-13-32)52(46)40-19-11-17-36(30-40)47-41-20-6-8-22-43(41)48(44-23-9-7-21-42(44)47)37-25-24-33-14-4-5-15-34(33)28-37/h1-31H.
What are the key properties of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole?
5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole has a molecular weight of 666.80 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole is sourced from PubChem (CID 59010681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).