1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole

C61H38F2N8O — CID 168802708

IUPAC1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc6cc(F)ccc6c5)nc(-n5cnc6ccccc65)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2-c2ccccc21
InChIInChI=1S/C61H38F2N8O/c1-61(44-14-6-3-7-15-44)51-17-9-8-16-48(51)49-31-25-41(35-54(49)72-61)47-30-26-43(34-50(47)59-67-55(37-12-4-2-5-13-37)65-56(68-59)38-22-27-45(62)28-23-38)58-66-57(42-21-20-40-33-46(63)29-24-39(40)32-42)69-60(70-58)71-36-64-52-18-10-11-19-53(52)71/h2-36H,1H3
InChIKeyRFZPITMZKUUVNX-UHFFFAOYSA-N
MW937.03 g/mol
LogP14.15
Rot. Bonds8

About 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole

1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole (PubChem CID 168802708) has the molecular formula C61H38F2N8O and a molecular weight of 937.03 g/mol. Its IUPAC name is 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole
PubChem CID168802708
Molecular FormulaC61H38F2N8O
Molecular Weight937.03 g/mol
Exact Mass936.31
IUPAC Name1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc6cc(F)ccc6c5)nc(-n5cnc6ccccc65)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2-c2ccccc21
InChIInChI=1S/C61H38F2N8O/c1-61(44-14-6-3-7-15-44)51-17-9-8-16-48(51)49-31-25-41(35-54(49)72-61)47-30-26-43(34-50(47)59-67-55(37-12-4-2-5-13-37)65-56(68-59)38-22-27-45(62)28-23-38)58-66-57(42-21-20-40-33-46(63)29-24-39(40)32-42)69-60(70-58)71-36-64-52-18-10-11-19-53(52)71/h2-36H,1H3
InChIKeyRFZPITMZKUUVNX-UHFFFAOYSA-N
XLogP14.15
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.03
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]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 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole?
The IUPAC name of 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole (CID 168802708) is 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole.
What is the SMILES notation for 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole?
The canonical SMILES for 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole is CC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc6cc(F)ccc6c5)nc(-n5cnc6ccccc65)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2-c2ccccc21.
What is the InChIKey of 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole?
The InChIKey is RFZPITMZKUUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F2N8O/c1-61(44-14-6-3-7-15-44)51-17-9-8-16-48(51)49-31-25-41(35-54(49)72-61)47-30-26-43(34-50(47)59-67-55(37-12-4-2-5-13-37)65-56(68-59)38-22-27-45(62)28-23-38)58-66-57(42-21-20-40-33-46(63)29-24-39(40)32-42)69-60(70-58)71-36-64-52-18-10-11-19-53(52)71/h2-36H,1H3.
What are the key properties of 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole?
1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole has a molecular weight of 937.03 g/mol, XLogP of 14.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole is sourced from PubChem (CID 168802708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).