2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole

C62H42F3N9 — CID 155186103

IUPAC2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESCC/C=C\C=C/c1cn(-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccc(F)cc6)nc6ccccc65)cc4)nc(-c4ccc(-n5c(-c6ccc(F)cc6)nc6ccccc65)cc4)n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C62H42F3N9/c1-2-3-4-5-10-49-39-72(60(66-49)43-15-27-46(63)28-16-43)50-33-21-40(22-34-50)57-69-58(41-23-35-51(36-24-41)73-55-13-8-6-11-53(55)67-61(73)44-17-29-47(64)30-18-44)71-59(70-57)42-25-37-52(38-26-42)74-56-14-9-7-12-54(56)68-62(74)45-19-31-48(65)32-20-45/h3-39H,2H2,1H3/b4-3-,10-5-
InChIKeyHEBCAGZCIVCDCZ-QQTPKPIZSA-N
MW970.08 g/mol
LogP15.13
Rot. Bonds12

About 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole

2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole (PubChem CID 155186103) has the molecular formula C62H42F3N9 and a molecular weight of 970.08 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
PubChem CID155186103
Molecular FormulaC62H42F3N9
Molecular Weight970.08 g/mol
Exact Mass969.35
IUPAC Name2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESCC/C=C\C=C/c1cn(-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccc(F)cc6)nc6ccccc65)cc4)nc(-c4ccc(-n5c(-c6ccc(F)cc6)nc6ccccc65)cc4)n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C62H42F3N9/c1-2-3-4-5-10-49-39-72(60(66-49)43-15-27-46(63)28-16-43)50-33-21-40(22-34-50)57-69-58(41-23-35-51(36-24-41)73-55-13-8-6-11-53(55)67-61(73)44-17-29-47(64)30-18-44)71-59(70-57)42-25-37-52(38-26-42)74-56-14-9-7-12-54(56)68-62(74)45-19-31-48(65)32-20-45/h3-39H,2H2,1H3/b4-3-,10-5-
InChIKeyHEBCAGZCIVCDCZ-QQTPKPIZSA-N
XLogP15.13
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.08
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole (CID 155186103) is 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole is CC/C=C\C=C/c1cn(-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccc(F)cc6)nc6ccccc65)cc4)nc(-c4ccc(-n5c(-c6ccc(F)cc6)nc6ccccc65)cc4)n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The InChIKey is HEBCAGZCIVCDCZ-QQTPKPIZSA-N. The full InChI is InChI=1S/C62H42F3N9/c1-2-3-4-5-10-49-39-72(60(66-49)43-15-27-46(63)28-16-43)50-33-21-40(22-34-50)57-69-58(41-23-35-51(36-24-41)73-55-13-8-6-11-53(55)67-61(73)44-17-29-47(64)30-18-44)71-59(70-57)42-25-37-52(38-26-42)74-56-14-9-7-12-54(56)68-62(74)45-19-31-48(65)32-20-45/h3-39H,2H2,1H3/b4-3-,10-5-.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole?
2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole has a molecular weight of 970.08 g/mol, XLogP of 15.13, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 155186103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).