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

C57H36N6O3 — CID 166913227

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C57H36N6O3/c1-3-19-37(20-4-1)55-58-56(38-21-5-2-6-22-38)60-57(59-55)39-35-46(61-40-23-7-13-29-48(40)64-49-30-14-8-24-41(49)61)54(63-44-27-11-17-33-52(44)66-53-34-18-12-28-45(53)63)47(36-39)62-42-25-9-15-31-50(42)65-51-32-16-10-26-43(51)62/h1-36H
InChIKeyNDWLWHAZIFECJA-UHFFFAOYSA-N
MW852.95 g/mol
LogP15.60
Rot. Bonds6

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

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine (PubChem CID 166913227) has the molecular formula C57H36N6O3 and a molecular weight of 852.95 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
PubChem CID166913227
Molecular FormulaC57H36N6O3
Molecular Weight852.95 g/mol
Exact Mass852.28
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C57H36N6O3/c1-3-19-37(20-4-1)55-58-56(38-21-5-2-6-22-38)60-57(59-55)39-35-46(61-40-23-7-13-29-48(40)64-49-30-14-8-24-41(49)61)54(63-44-27-11-17-33-52(44)66-53-34-18-12-28-45(53)63)47(36-39)62-42-25-9-15-31-50(42)65-51-32-16-10-26-43(51)62/h1-36H
InChIKeyNDWLWHAZIFECJA-UHFFFAOYSA-N
XLogP15.60
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.95
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290690
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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 153495105
10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
CID 145345234
11-phenyl-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
CID 140893612
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine (CID 166913227) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine?
The InChIKey is NDWLWHAZIFECJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6O3/c1-3-19-37(20-4-1)55-58-56(38-21-5-2-6-22-38)60-57(59-55)39-35-46(61-40-23-7-13-29-48(40)64-49-30-14-8-24-41(49)61)54(63-44-27-11-17-33-52(44)66-53-34-18-12-28-45(53)63)47(36-39)62-42-25-9-15-31-50(42)65-51-32-16-10-26-43(51)62/h1-36H.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine has a molecular weight of 852.95 g/mol, XLogP of 15.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 166913227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).