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

C36H24N4 — CID 71276696

IUPAC11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4n4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C36H24N4/c1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)38-35(37-29)34-28-20-10-11-21-31(28)40-33-23-13-12-22-32(33)39(36(34)40)27-18-8-3-9-19-27/h1-24H
InChIKeyONFNWMWFFWKYGE-UHFFFAOYSA-N
MW512.62 g/mol
LogP8.83
Rot. Bonds4

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

11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 71276696) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole
PubChem CID71276696
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4n4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C36H24N4/c1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)38-35(37-29)34-28-20-10-11-21-31(28)40-33-23-13-12-22-32(33)39(36(34)40)27-18-8-3-9-19-27/h1-24H
InChIKeyONFNWMWFFWKYGE-UHFFFAOYSA-N
XLogP8.83
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164782241
10-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782436
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 159845108
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
10-[3-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782455
10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782219
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-[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

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole (CID 71276696) is 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4n4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is ONFNWMWFFWKYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-4-14-25(15-5-1)29-24-30(26-16-6-2-7-17-26)38-35(37-29)34-28-20-10-11-21-31(28)40-33-23-13-12-22-32(33)39(36(34)40)27-18-8-3-9-19-27/h1-24H.
What are the key properties of 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole?
11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 512.62 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 71276696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).