2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine

C48H32N2O — CID 174333600

IUPAC2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESC=C1C=COc2cc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc5ccccc45)cc3)ccc21
InChIInChI=1S/C48H32N2O/c1-32-27-28-51-46-30-38(24-25-41(32)46)33-19-21-37(22-20-33)47-42-18-9-8-11-34(42)23-26-43(47)39-16-10-17-40(29-39)48-49-44(35-12-4-2-5-13-35)31-45(50-48)36-14-6-3-7-15-36/h2-31H,1H2
InChIKeyYOQDWAILUYLVMC-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.55
Rot. Bonds6

About 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine

2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 174333600) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
PubChem CID174333600
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESC=C1C=COc2cc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc5ccccc45)cc3)ccc21
InChIInChI=1S/C48H32N2O/c1-32-27-28-51-46-30-38(24-25-41(32)46)33-19-21-37(22-20-33)47-42-18-9-8-11-34(42)23-26-43(47)39-16-10-17-40(29-39)48-49-44(35-12-4-2-5-13-35)31-45(50-48)36-14-6-3-7-15-36/h2-31H,1H2
InChIKeyYOQDWAILUYLVMC-UHFFFAOYSA-N
XLogP12.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 174333598
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638727
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441
1-[1-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindol-5-ium 5-oxide
CID 176638762

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine (CID 174333600) is 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine is C=C1C=COc2cc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc5ccccc45)cc3)ccc21.
What is the InChIKey of 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is YOQDWAILUYLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-32-27-28-51-46-30-38(24-25-41(32)46)33-19-21-37(22-20-33)47-42-18-9-8-11-34(42)23-26-43(47)39-16-10-17-40(29-39)48-49-44(35-12-4-2-5-13-35)31-45(50-48)36-14-6-3-7-15-36/h2-31H,1H2.
What are the key properties of 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 652.80 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 174333600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).