10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole

C56H36N4 — CID 164782455

IUPAC10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-c2c3ccccc3n3c4ccccc4n(-c4cccc(-c5cccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5)c4)c23)cc1
InChIInChI=1S/C56H36N4/c1-2-18-39(19-3-1)54-48-28-8-9-31-51(48)60-53-33-11-10-32-52(53)59(56(54)60)43-25-13-23-41(35-43)40-22-12-24-42(34-40)49-36-50(46-29-14-20-37-16-4-6-26-44(37)46)58-55(57-49)47-30-15-21-38-17-5-7-27-45(38)47/h1-36H
InChIKeyDSPXZAIQRBKQFY-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.47
Rot. Bonds6

About 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole

10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole (PubChem CID 164782455) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
PubChem CID164782455
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-c2c3ccccc3n3c4ccccc4n(-c4cccc(-c5cccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5)c4)c23)cc1
InChIInChI=1S/C56H36N4/c1-2-18-39(19-3-1)54-48-28-8-9-31-51(48)60-53-33-11-10-32-52(53)59(56(54)60)43-25-13-23-41(35-43)40-22-12-24-42(34-40)49-36-50(46-29-14-20-37-16-4-6-26-44(37)46)58-55(57-49)47-30-15-21-38-17-5-7-27-45(38)47/h1-36H
InChIKeyDSPXZAIQRBKQFY-UHFFFAOYSA-N
XLogP14.47
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164782241
10-[3-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782166
10-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782436
10-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782470
10-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782315
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
10-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164969805
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
11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole
CID 71276696
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 159845108
10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782219

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole (CID 164782455) is 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole is c1ccc(-c2c3ccccc3n3c4ccccc4n(-c4cccc(-c5cccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5)c4)c23)cc1.
What is the InChIKey of 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?
The InChIKey is DSPXZAIQRBKQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-2-18-39(19-3-1)54-48-28-8-9-31-51(48)60-53-33-11-10-32-52(53)59(56(54)60)43-25-13-23-41(35-43)40-22-12-24-42(34-40)49-36-50(46-29-14-20-37-16-4-6-26-44(37)46)58-55(57-49)47-30-15-21-38-17-5-7-27-45(38)47/h1-36H.
What are the key properties of 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?
10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole has a molecular weight of 764.93 g/mol, XLogP of 14.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 164782455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).