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

C37H24N4O — CID 129290690

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4ccccc4c3)n2)cc1
InChIInChI=1S/C37H24N4O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)28-23-27-17-7-8-18-29(27)32(24-28)41-30-19-9-11-21-33(30)42-34-22-12-10-20-31(34)41/h1-24H
InChIKeyJNSIMDAUFCHIQK-UHFFFAOYSA-N
MW540.63 g/mol
LogP9.60
Rot. Bonds4

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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290690) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
PubChem CID129290690
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4ccccc4c3)n2)cc1
InChIInChI=1S/C37H24N4O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)28-23-27-17-7-8-18-29(27)32(24-28)41-30-19-9-11-21-33(30)42-34-22-12-10-20-31(34)41/h1-24H
InChIKeyJNSIMDAUFCHIQK-UHFFFAOYSA-N
XLogP9.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
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-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
CID 145345234
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
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
11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene
CID 134559904
10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 129290690) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4ccccc4c3)n2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is JNSIMDAUFCHIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)28-23-27-17-7-8-18-29(27)32(24-28)41-30-19-9-11-21-33(30)42-34-22-12-10-20-31(34)41/h1-24H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 540.63 g/mol, XLogP of 9.60, 4 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)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).