10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine

C48H29N11O — CID 129290751

IUPAC10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C48H29N11O/c1-3-19-41-39(17-1)59(40-18-2-4-20-42(40)60-41)32-22-21-30-27-31(43-53-45(35-13-5-9-23-49-35)57-46(54-43)36-14-6-10-24-50-36)28-34(33(30)29-32)44-55-47(37-15-7-11-25-51-37)58-48(56-44)38-16-8-12-26-52-38/h1-29H
InChIKeyBFWPPJJBLVASSC-UHFFFAOYSA-N
MW775.84 g/mol
LogP10.37
Rot. Bonds7

About 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine

10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine (PubChem CID 129290751) has the molecular formula C48H29N11O and a molecular weight of 775.84 g/mol. Its IUPAC name is 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
PubChem CID129290751
Molecular FormulaC48H29N11O
Molecular Weight775.84 g/mol
Exact Mass775.26
IUPAC Name10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C48H29N11O/c1-3-19-41-39(17-1)59(40-18-2-4-20-42(40)60-41)32-22-21-30-27-31(43-53-45(35-13-5-9-23-49-35)57-46(54-43)36-14-6-10-24-50-36)28-34(33(30)29-32)44-55-47(37-15-7-11-25-51-37)58-48(56-44)38-16-8-12-26-52-38/h1-29H
InChIKeyBFWPPJJBLVASSC-UHFFFAOYSA-N
XLogP10.37
TPSA141.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.84
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine with MolForge

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Related Compounds

4-(3-methyl-2-(2-pyridinyl)-1,8-naphthyridin-4-yl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67285250
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-6-(2-naphthyl)pyrazine
CID 6482733
10-[5,7-Bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290704
10-[4-Phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290713
10-[6,8-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290744
10-[3-(2,6-Diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291584
10-[3-[3,5-Bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129291692
2-Cyclohexa-1,5-dien-1-yl-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazine
CID 163645579
4-(3-Pyridinyloxy)-1'-(4,6,7-trimethyl-2-quinazolinyl)-1,4'-bipiperidine
CID 42171485
6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine
CID 146931814
7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine
CID 147372275
8-Fluoro-6-[5-fluoro-2-(isoquinolin-6-ylmethyl)pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 147467845

Frequently Asked Questions

What is the IUPAC name of 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine (CID 129290751) is 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine is c1ccc(-c2nc(-c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
The InChIKey is BFWPPJJBLVASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N11O/c1-3-19-41-39(17-1)59(40-18-2-4-20-42(40)60-41)32-22-21-30-27-31(43-53-45(35-13-5-9-23-49-35)57-46(54-43)36-14-6-10-24-50-36)28-34(33(30)29-32)44-55-47(37-15-7-11-25-51-37)58-48(56-44)38-16-8-12-26-52-38/h1-29H.
What are the key properties of 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine has a molecular weight of 775.84 g/mol, XLogP of 10.37, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine is sourced from PubChem (CID 129290751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).