10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine

C39H24N4O2 — CID 145345234

IUPAC10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(N6c7ccccc7Oc7ccccc76)c5c4c3)n2)cc1
InChIInChI=1S/C39H24N4O2/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-22-23-32-28(24-27)36-31(18-11-21-35(36)44-32)43-29-16-7-9-19-33(29)45-34-20-10-8-17-30(34)43/h1-24H
InChIKeyQNDOBBXDDKQAEM-UHFFFAOYSA-N
MW580.65 g/mol
LogP10.35
Rot. Bonds4

About 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine

10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine (PubChem CID 145345234) has the molecular formula C39H24N4O2 and a molecular weight of 580.65 g/mol. Its IUPAC name is 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
PubChem CID145345234
Molecular FormulaC39H24N4O2
Molecular Weight580.65 g/mol
Exact Mass580.19
IUPAC Name10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(N6c7ccccc7Oc7ccccc76)c5c4c3)n2)cc1
InChIInChI=1S/C39H24N4O2/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-22-23-32-28(24-27)36-31(18-11-21-35(36)44-32)43-29-16-7-9-19-33(29)45-34-20-10-8-17-30(34)43/h1-24H
InChIKeyQNDOBBXDDKQAEM-UHFFFAOYSA-N
XLogP10.35
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.65
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 142427413
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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
CID 157278592
2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 163739599
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine
CID 167067160
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290690

Frequently Asked Questions

What is the IUPAC name of 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine?
The IUPAC name of 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine (CID 145345234) is 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine.
What is the SMILES notation for 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine?
The canonical SMILES for 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(N6c7ccccc7Oc7ccccc76)c5c4c3)n2)cc1.
What is the InChIKey of 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine?
The InChIKey is QNDOBBXDDKQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-22-23-32-28(24-27)36-31(18-11-21-35(36)44-32)43-29-16-7-9-19-33(29)45-34-20-10-8-17-30(34)43/h1-24H.
What are the key properties of 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine?
10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine has a molecular weight of 580.65 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine is sourced from PubChem (CID 145345234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).