10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine

C63H48N6O — CID 118528556

IUPAC10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C63H48N6O/c1-62(2)47-17-5-9-21-51(47)67(52-22-10-6-18-48(52)62)44-35-29-41(30-36-44)59-64-60(42-31-37-45(38-32-42)68-53-23-11-7-19-49(53)63(3,4)50-20-8-12-24-54(50)68)66-61(65-59)43-33-39-46(40-34-43)69-55-25-13-15-27-57(55)70-58-28-16-14-26-56(58)69/h5-40H,1-4H3
InChIKeyPUPHKAHBKLFCNP-UHFFFAOYSA-N
MW905.12 g/mol
LogP16.67
Rot. Bonds6

About 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528556) has the molecular formula C63H48N6O and a molecular weight of 905.12 g/mol. Its IUPAC name is 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528556
Molecular FormulaC63H48N6O
Molecular Weight905.12 g/mol
Exact Mass904.39
IUPAC Name10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C63H48N6O/c1-62(2)47-17-5-9-21-51(47)67(52-22-10-6-18-48(52)62)44-35-29-41(30-36-44)59-64-60(42-31-37-45(38-32-42)68-53-23-11-7-19-49(53)63(3,4)50-20-8-12-24-54(50)68)66-61(65-59)43-33-39-46(40-34-43)69-55-25-13-15-27-57(55)70-58-28-16-14-26-56(58)69/h5-40H,1-4H3
InChIKeyPUPHKAHBKLFCNP-UHFFFAOYSA-N
XLogP16.67
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.12
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine with MolForge

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Related Compounds

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158328207
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
CID 134579076
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528556) is 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is PUPHKAHBKLFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N6O/c1-62(2)47-17-5-9-21-51(47)67(52-22-10-6-18-48(52)62)44-35-29-41(30-36-44)59-64-60(42-31-37-45(38-32-42)68-53-23-11-7-19-49(53)63(3,4)50-20-8-12-24-54(50)68)66-61(65-59)43-33-39-46(40-34-43)69-55-25-13-15-27-57(55)70-58-28-16-14-26-56(58)69/h5-40H,1-4H3.
What are the key properties of 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 905.12 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).