2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole

C59H38N6 — CID 71104991

IUPAC2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H38N6/c1-4-20-41(21-5-1)52-37-54(49-30-16-24-39-18-10-12-28-47(39)49)62-57(60-52)43-34-44(36-45(35-43)59-64-51-32-14-15-33-56(51)65(59)46-26-8-3-9-27-46)58-61-53(42-22-6-2-7-23-42)38-55(63-58)50-31-17-25-40-19-11-13-29-48(40)50/h1-38H
InChIKeyUOHCEVWEQODTAG-UHFFFAOYSA-N
MW831.00 g/mol
LogP14.58
Rot. Bonds8

About 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole

2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 71104991) has the molecular formula C59H38N6 and a molecular weight of 831.00 g/mol. Its IUPAC name is 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID71104991
Molecular FormulaC59H38N6
Molecular Weight831.00 g/mol
Exact Mass830.32
IUPAC Name2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H38N6/c1-4-20-41(21-5-1)52-37-54(49-30-16-24-39-18-10-12-28-47(39)49)62-57(60-52)43-34-44(36-45(35-43)59-64-51-32-14-15-33-56(51)65(59)46-26-8-3-9-27-46)58-61-53(42-22-6-2-7-23-42)38-55(63-58)50-31-17-25-40-19-11-13-29-48(40)50/h1-38H
InChIKeyUOHCEVWEQODTAG-UHFFFAOYSA-N
XLogP14.58
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.00
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 155306971
2-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-1-phenylbenzimidazole
CID 167156845
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 159325924
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine
CID 161373189
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 158179246
1-phenyl-2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]benzimidazole
CID 147237634

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole (CID 71104991) is 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is UOHCEVWEQODTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N6/c1-4-20-41(21-5-1)52-37-54(49-30-16-24-39-18-10-12-28-47(39)49)62-57(60-52)43-34-44(36-45(35-43)59-64-51-32-14-15-33-56(51)65(59)46-26-8-3-9-27-46)58-61-53(42-22-6-2-7-23-42)38-55(63-58)50-31-17-25-40-19-11-13-29-48(40)50/h1-38H.
What are the key properties of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole?
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 831.00 g/mol, XLogP of 14.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 71104991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).