4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine

C48H32N2O — CID 174333598

IUPAC4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
SMILESC=C1C=COc2c1cccc2-c1cccc(-c2c(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc3ccccc23)c1
InChIInChI=1S/C48H32N2O/c1-32-27-28-51-47-40(32)23-12-24-43(47)37-19-11-21-39(30-37)46-41-22-9-8-13-33(41)25-26-42(46)36-18-10-20-38(29-36)45-31-44(34-14-4-2-5-15-34)49-48(50-45)35-16-6-3-7-17-35/h2-31H,1H2
InChIKeyMLNRNSXMODSNCQ-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.55
Rot. Bonds6

About 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine

4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 174333598) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID174333598
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
SMILESC=C1C=COc2c1cccc2-c1cccc(-c2c(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc3ccccc23)c1
InChIInChI=1S/C48H32N2O/c1-32-27-28-51-47-40(32)23-12-24-43(47)37-19-11-21-39(30-37)46-41-22-9-8-13-33(41)25-26-42(46)36-18-10-20-38(29-36)45-31-44(34-14-4-2-5-15-34)49-48(50-45)35-16-6-3-7-17-35/h2-31H,1H2
InChIKeyMLNRNSXMODSNCQ-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

2-[3-[1-[4-(4-methylidenechromen-7-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 174333600
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
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-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
5-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 174334557
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-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine (CID 174333598) is 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine is C=C1C=COc2c1cccc2-c1cccc(-c2c(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc3ccccc23)c1.
What is the InChIKey of 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is MLNRNSXMODSNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-32-27-28-51-47-40(32)23-12-24-43(47)37-19-11-21-39(30-37)46-41-22-9-8-13-33(41)25-26-42(46)36-18-10-20-38(29-36)45-31-44(34-14-4-2-5-15-34)49-48(50-45)35-16-6-3-7-17-35/h2-31H,1H2.
What are the key properties of 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine?
4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-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 4-[3-[1-[3-(4-methylidenechromen-8-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 174333598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).