10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine

C44H29N5O — CID 153459557

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C44H29N5O/c1-4-16-30(17-5-1)34-22-10-11-23-35(34)33-28-36(43-47-41(31-18-6-2-7-19-31)46-42(48-43)32-20-8-3-9-21-32)44(45-29-33)49-37-24-12-14-26-39(37)50-40-27-15-13-25-38(40)49/h1-29H
InChIKeyMAMYXZLIIYJADQ-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.18
Rot. Bonds6

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine (PubChem CID 153459557) has the molecular formula C44H29N5O and a molecular weight of 643.75 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine
PubChem CID153459557
Molecular FormulaC44H29N5O
Molecular Weight643.75 g/mol
Exact Mass643.24
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C44H29N5O/c1-4-16-30(17-5-1)34-22-10-11-23-35(34)33-28-36(43-47-41(31-18-6-2-7-19-31)46-42(48-43)32-20-8-3-9-21-32)44(45-29-33)49-37-24-12-14-26-39(37)50-40-27-15-13-25-38(40)49/h1-29H
InChIKeyMAMYXZLIIYJADQ-UHFFFAOYSA-N
XLogP11.18
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenoxazine
CID 153460045
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9,9-dimethylacridine
CID 153460374
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
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
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290690
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-9,9-dimethylacridine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]phenothiazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]phenoxazine
CID 165079302
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine
CID 140690498

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine (CID 153459557) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine?
The InChIKey is MAMYXZLIIYJADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5O/c1-4-16-30(17-5-1)34-22-10-11-23-35(34)33-28-36(43-47-41(31-18-6-2-7-19-31)46-42(48-43)32-20-8-3-9-21-32)44(45-29-33)49-37-24-12-14-26-39(37)50-40-27-15-13-25-38(40)49/h1-29H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine has a molecular weight of 643.75 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine is sourced from PubChem (CID 153459557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).