2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine

C49H32N6 — CID 146581219

IUPAC2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6c7ncccc7nc(-c7ccccc7)c6n5-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C49H32N6/c1-5-14-35(15-6-1)42-32-43(36-16-7-2-8-17-36)53-48(52-42)38-27-23-33(24-28-38)34-25-29-39(30-26-34)49-54-46-45-41(22-13-31-50-45)51-44(37-18-9-3-10-19-37)47(46)55(49)40-20-11-4-12-21-40/h1-32H
InChIKeyUREYYABRNBYKFI-UHFFFAOYSA-N
MW704.84 g/mol
LogP11.76
Rot. Bonds7

About 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine

2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine (PubChem CID 146581219) has the molecular formula C49H32N6 and a molecular weight of 704.84 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
PubChem CID146581219
Molecular FormulaC49H32N6
Molecular Weight704.84 g/mol
Exact Mass704.27
IUPAC Name2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6c7ncccc7nc(-c7ccccc7)c6n5-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C49H32N6/c1-5-14-35(15-6-1)42-32-43(36-16-7-2-8-17-36)53-48(52-42)38-27-23-33(24-28-38)34-25-29-39(30-26-34)49-54-46-45-41(22-13-31-50-45)51-44(37-18-9-3-10-19-37)47(46)55(49)40-20-11-4-12-21-40/h1-32H
InChIKeyUREYYABRNBYKFI-UHFFFAOYSA-N
XLogP11.76
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.84
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
CID 146581211
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279930
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498872
2-[4-(4-bromophenyl)phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
CID 153490097
2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
CID 146581262
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480609
6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480611
1,2-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498575
4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139499068
6-[4-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 156551663
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279933
4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 157409017

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine?
The IUPAC name of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine (CID 146581219) is 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine.
What is the SMILES notation for 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine?
The canonical SMILES for 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6c7ncccc7nc(-c7ccccc7)c6n5-c5ccccc5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine?
The InChIKey is UREYYABRNBYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N6/c1-5-14-35(15-6-1)42-32-43(36-16-7-2-8-17-36)53-48(52-42)38-27-23-33(24-28-38)34-25-29-39(30-26-34)49-54-46-45-41(22-13-31-50-45)51-44(37-18-9-3-10-19-37)47(46)55(49)40-20-11-4-12-21-40/h1-32H.
What are the key properties of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine?
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine has a molecular weight of 704.84 g/mol, XLogP of 11.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine is sourced from PubChem (CID 146581219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).