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

C39H26N4O — CID 118472978

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H26N4O/c1-4-13-27(14-5-1)30-23-24-34-36(26-30)44-35-22-11-10-21-33(35)43(34)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-26H
InChIKeyJXZAGNRFAYSJEO-UHFFFAOYSA-N
MW566.66 g/mol
LogP10.12
Rot. Bonds5

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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine (PubChem CID 118472978) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine
PubChem CID118472978
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H26N4O/c1-4-13-27(14-5-1)30-23-24-34-36(26-30)44-35-22-11-10-21-33(35)43(34)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-26H
InChIKeyJXZAGNRFAYSJEO-UHFFFAOYSA-N
XLogP10.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 102311758
CID 102311758
CID 59194549
CID 59194549
CID 102430159
CID 102430159
CID 102430160
CID 102430160
CID 129290744
CID 129290744
CID 129291584
CID 129291584
CID 134223925
CID 134223925
CID 134224087
CID 134224087
CID 160657212
CID 160657212
CID 163671691
CID 163671691
CID 163674287
CID 163674287
CID 135131089
CID 135131089

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine (CID 118472978) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine is c1ccc(-c2ccc3c(c2)Oc2ccccc2N3c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine?
The InChIKey is JXZAGNRFAYSJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-4-13-27(14-5-1)30-23-24-34-36(26-30)44-35-22-11-10-21-33(35)43(34)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-26H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenoxazine has a molecular weight of 566.66 g/mol, XLogP of 10.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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-phenylphenoxazine is sourced from PubChem (CID 118472978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).