5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole

C49H31FN2 — CID 59010655

IUPAC5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2-c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C49H31FN2/c50-39-27-28-46-45(31-39)51-49(35-24-21-34(22-25-35)32-11-2-1-3-12-32)52(46)40-16-10-15-37(30-40)47-41-17-6-8-19-43(41)48(44-20-9-7-18-42(44)47)38-26-23-33-13-4-5-14-36(33)29-38/h1-31H
InChIKeyBFBDMFYUQCZBDF-UHFFFAOYSA-N
MW666.80 g/mol
LogP13.29
Rot. Bonds5

About 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole

5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole (PubChem CID 59010655) 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-(4-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
PubChem CID59010655
Molecular FormulaC49H31FN2
Molecular Weight666.80 g/mol
Exact Mass666.25
IUPAC Name5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
SMILESFc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2-c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C49H31FN2/c50-39-27-28-46-45(31-39)51-49(35-24-21-34(22-25-35)32-11-2-1-3-12-32)52(46)40-16-10-15-37(30-40)47-41-17-6-8-19-43(41)48(44-20-9-7-18-42(44)47)38-26-23-33-13-4-5-14-36(33)29-38/h1-31H
InChIKeyBFBDMFYUQCZBDF-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-(4-phenylphenyl)benzimidazole?
The IUPAC name of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole (CID 59010655) is 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole.
What is the SMILES notation for 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
The canonical SMILES for 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole is Fc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2-c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
The InChIKey is BFBDMFYUQCZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31FN2/c50-39-27-28-46-45(31-39)51-49(35-24-21-34(22-25-35)32-11-2-1-3-12-32)52(46)40-16-10-15-37(30-40)47-41-17-6-8-19-43(41)48(44-20-9-7-18-42(44)47)38-26-23-33-13-4-5-14-36(33)29-38/h1-31H.
What are the key properties of 5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
5-fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-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-(4-phenylphenyl)benzimidazole is sourced from PubChem (CID 59010655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).