2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole

C39H25N3O — CID 174333028

IUPAC2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc6nc(-c7ccccc7)oc6c5)ccc5ccccc45)cc3)nn2)cc1
InChIInChI=1S/C39H25N3O/c1-3-10-27(11-4-1)34-23-24-35(42-41-34)28-15-17-29(18-16-28)38-32-14-8-7-9-26(32)19-21-33(38)31-20-22-36-37(25-31)43-39(40-36)30-12-5-2-6-13-30/h1-25H
InChIKeyMMZVTPQIGYSWLD-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

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

2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 174333028) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID174333028
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc6nc(-c7ccccc7)oc6c5)ccc5ccccc45)cc3)nn2)cc1
InChIInChI=1S/C39H25N3O/c1-3-10-27(11-4-1)34-23-24-35(42-41-34)28-15-17-29(18-16-28)38-32-14-8-7-9-26(32)19-21-33(38)31-20-22-36-37(25-31)43-39(40-36)30-12-5-2-6-13-30/h1-25H
InChIKeyMMZVTPQIGYSWLD-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
6-[2-[2-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 174333361
2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174332752
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333729
2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 164758438
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
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
(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-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole
CID 122578278

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (CID 174333028) is 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc6nc(-c7ccccc7)oc6c5)ccc5ccccc45)cc3)nn2)cc1.
What is the InChIKey of 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is MMZVTPQIGYSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-10-27(11-4-1)34-23-24-35(42-41-34)28-15-17-29(18-16-28)38-32-14-8-7-9-26(32)19-21-33(38)31-20-22-36-37(25-31)43-39(40-36)30-12-5-2-6-13-30/h1-25H.
What are the key properties of 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 174333028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).