2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole

C48H34N2O — CID 174332752

IUPAC2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)c5C)cc4)cc3)cc2o1
InChIInChI=1S/C48H34N2O/c1-31-43(34-11-5-3-6-12-34)30-45(37-14-7-4-8-15-37)50-48(31)39-23-21-38(22-24-39)47-41-16-10-9-13-35(41)25-27-42(47)36-19-17-33(18-20-36)40-26-28-44-46(29-40)51-32(2)49-44/h3-30H,1-2H3
InChIKeyRPZFWAFGGWWPHL-UHFFFAOYSA-N
MW654.81 g/mol
LogP12.99
Rot. Bonds6

About 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole

2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 174332752) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
PubChem CID174332752
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC Name2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)c5C)cc4)cc3)cc2o1
InChIInChI=1S/C48H34N2O/c1-31-43(34-11-5-3-6-12-34)30-45(37-14-7-4-8-15-37)50-48(31)39-23-21-38(22-24-39)47-41-16-10-9-13-35(41)25-27-42(47)36-19-17-33(18-20-36)40-26-28-44-46(29-40)51-32(2)49-44/h3-30H,1-2H3
InChIKeyRPZFWAFGGWWPHL-UHFFFAOYSA-N
XLogP12.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174332697
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332890
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
1,2-diphenylnaphthalene
CID 11208267
(1Z,3Z)-1-[6-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazol-2-yl]buta-1,3-diene-1,4-diamine
CID 174334163
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole (CID 174332752) is 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole is Cc1nc2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)c5C)cc4)cc3)cc2o1.
What is the InChIKey of 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is RPZFWAFGGWWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-31-43(34-11-5-3-6-12-34)30-45(37-14-7-4-8-15-37)50-48(31)39-23-21-38(22-24-39)47-41-16-10-9-13-35(41)25-27-42(47)36-19-17-33(18-20-36)40-26-28-44-46(29-40)51-32(2)49-44/h3-30H,1-2H3.
What are the key properties of 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 654.81 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174332752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).