11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole

C50H32N4 — CID 164782241

IUPAC11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3n3c4ccccc4c(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c23)cc1
InChIInChI=1S/C50H32N4/c1-2-18-37(19-3-1)53-46-26-10-11-27-47(46)54-45-25-9-8-22-42(45)48(50(53)54)36-30-28-35(29-31-36)43-32-44(40-23-12-16-33-14-4-6-20-38(33)40)52-49(51-43)41-24-13-17-34-15-5-7-21-39(34)41/h1-32H
InChIKeyAMWBAPJMSBOHHV-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.80
Rot. Bonds5

About 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole

11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 164782241) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole
PubChem CID164782241
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3n3c4ccccc4c(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c23)cc1
InChIInChI=1S/C50H32N4/c1-2-18-37(19-3-1)53-46-26-10-11-27-47(46)54-45-25-9-8-22-42(45)48(50(53)54)36-30-28-35(29-31-36)43-32-44(40-23-12-16-33-14-4-6-20-38(33)40)52-49(51-43)41-24-13-17-34-15-5-7-21-39(34)41/h1-32H
InChIKeyAMWBAPJMSBOHHV-UHFFFAOYSA-N
XLogP12.80
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole 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

10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782455
11-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole;11-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole;11-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 165020432
10-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782470
11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole
CID 71276696
10-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782436
10-[3-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782166
10-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782315
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 159845108
9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444
10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782219
11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 164947595
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 165108051

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole (CID 164782241) is 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3n3c4ccccc4c(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c23)cc1.
What is the InChIKey of 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is AMWBAPJMSBOHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-2-18-37(19-3-1)53-46-26-10-11-27-47(46)54-45-25-9-8-22-42(45)48(50(53)54)36-30-28-35(29-31-36)43-32-44(40-23-12-16-33-14-4-6-20-38(33)40)52-49(51-43)41-24-13-17-34-15-5-7-21-39(34)41/h1-32H.
What are the key properties of 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole?
11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 688.83 g/mol, XLogP of 12.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 164782241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).