10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine

C45H29N5O2 — CID 163735703

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5Oc5cc(N6c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C45H29N5O2/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-37-22-9-12-25-41(37)52-42-29-34(26-27-38(42)49)50-35-20-7-10-23-39(35)51-40-24-11-8-21-36(40)50/h1-29H
InChIKeyLDKDQWYGSINDHS-UHFFFAOYSA-N
MW671.76 g/mol
LogP12.02
Rot. Bonds5

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine (PubChem CID 163735703) has the molecular formula C45H29N5O2 and a molecular weight of 671.76 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
PubChem CID163735703
Molecular FormulaC45H29N5O2
Molecular Weight671.76 g/mol
Exact Mass671.23
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5Oc5cc(N6c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C45H29N5O2/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-37-22-9-12-25-41(37)52-42-29-34(26-27-38(42)49)50-35-20-7-10-23-39(35)51-40-24-11-8-21-36(40)50/h1-29H
InChIKeyLDKDQWYGSINDHS-UHFFFAOYSA-N
XLogP12.02
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.76
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 142427413
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine (CID 163735703) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5Oc5cc(N6c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine?
The InChIKey is LDKDQWYGSINDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5O2/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-37-22-9-12-25-41(37)52-42-29-34(26-27-38(42)49)50-35-20-7-10-23-39(35)51-40-24-11-8-21-36(40)50/h1-29H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine has a molecular weight of 671.76 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine is sourced from PubChem (CID 163735703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).