6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole

C45H30N4O — CID 174332697

IUPAC6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2o1
InChIInChI=1S/C45H30N4O/c1-29-46-40-27-25-37(28-41(40)50-29)30-16-18-32(19-17-30)39-26-24-31-10-8-9-15-38(31)42(39)33-20-22-36(23-21-33)45-48-43(34-11-4-2-5-12-34)47-44(49-45)35-13-6-3-7-14-35/h2-28H,1H3
InChIKeyUFCVPTDCLFBUPR-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.48
Rot. Bonds6

About 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole

6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole (PubChem CID 174332697) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole
PubChem CID174332697
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2o1
InChIInChI=1S/C45H30N4O/c1-29-46-40-27-25-37(28-41(40)50-29)30-16-18-32(19-17-30)39-26-24-31-10-8-9-15-38(31)42(39)33-20-22-36(23-21-33)45-48-43(34-11-4-2-5-12-34)47-44(49-45)35-13-6-3-7-14-35/h2-28H,1H3
InChIKeyUFCVPTDCLFBUPR-UHFFFAOYSA-N
XLogP11.48
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174332752
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
2-(2-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 129099084
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-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 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) is 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole is Cc1nc2ccc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2o1.
What is the InChIKey of 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole?
The InChIKey is UFCVPTDCLFBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-29-46-40-27-25-37(28-41(40)50-29)30-16-18-32(19-17-30)39-26-24-31-10-8-9-15-38(31)42(39)33-20-22-36(23-21-33)45-48-43(34-11-4-2-5-12-34)47-44(49-45)35-13-6-3-7-14-35/h2-28H,1H3.
What are the key properties of 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole?
6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole has a molecular weight of 642.76 g/mol, XLogP of 11.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 174332697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).