10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

C60H38N4O2 — CID 163674287

IUPAC10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4c(c3)C(c3ccc5ccccc5c3)(c3ccc5ccccc5c3)c3ccccc3O4)n2)cc1
InChIInChI=1S/C60H38N4O2/c1-2-16-41(17-3-1)57-61-58(42-28-33-48(34-29-42)64-51-21-9-12-24-55(51)66-56-25-13-10-22-52(56)64)63-59(62-57)45-30-35-54-50(38-45)60(49-20-8-11-23-53(49)65-54,46-31-26-39-14-4-6-18-43(39)36-46)47-32-27-40-15-5-7-19-44(40)37-47/h1-38H
InChIKeyJFHDOJYJHKMTRI-UHFFFAOYSA-N
MW846.99 g/mol
LogP15.24
Rot. Bonds6

About 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 163674287) has the molecular formula C60H38N4O2 and a molecular weight of 846.99 g/mol. Its IUPAC name is 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID163674287
Molecular FormulaC60H38N4O2
Molecular Weight846.99 g/mol
Exact Mass846.30
IUPAC Name10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4c(c3)C(c3ccc5ccccc5c3)(c3ccc5ccccc5c3)c3ccccc3O4)n2)cc1
InChIInChI=1S/C60H38N4O2/c1-2-16-41(17-3-1)57-61-58(42-28-33-48(34-29-42)64-51-21-9-12-24-55(51)66-56-25-13-10-22-52(56)64)63-59(62-57)45-30-35-54-50(38-45)60(49-20-8-11-23-53(49)65-54,46-31-26-39-14-4-6-18-43(39)36-46)47-32-27-40-15-5-7-19-44(40)37-47/h1-38H
InChIKeyJFHDOJYJHKMTRI-UHFFFAOYSA-N
XLogP15.24
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.99
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Phenoxazine-2,4,6-triphenyl-1,3,5-triazine
CID 102311758
2-(10H-Phenoxazine-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 59194549
10-[6,8-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290744
10-[3-(2,6-Diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291584
3-[4-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-oxa-25-thia-3-azahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-1(18),2(11),4,6,8,12,14,16,19,21,23-undecaene
CID 163671691
10-[2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]spiro[acridine-9,9'-xanthene]
CID 153287586
2-[3-(6,6-Dimethylbenzo[c]chromen-7-yl)-4-(4-fluorophenyl)phenyl]-4-[4-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168802819
2-(6,6-Dimethylbenzo[c]chromen-8-yl)-4-[3-(4-fluorophenyl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazine
CID 168802852
2-(2-Tert-butyl-6,6-dimethylbenzo[c]chromen-8-yl)-4-[3-(4-fluorophenyl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazine
CID 168802918
4-[4-[5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-18-fluoro-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,3'-cyclohexane]-5-yl]phenyl]morpholine
CID 169290861
4-[4-[5-[4-(4,6-Difluoro-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]phenyl]morpholine
CID 169290908
4-[4-[5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-18-fluorospiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-21,1'-cycloheptane]-5-yl]phenyl]morpholine
CID 169290986

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 163674287) is 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4c(c3)C(c3ccc5ccccc5c3)(c3ccc5ccccc5c3)c3ccccc3O4)n2)cc1.
What is the InChIKey of 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is JFHDOJYJHKMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O2/c1-2-16-41(17-3-1)57-61-58(42-28-33-48(34-29-42)64-51-21-9-12-24-55(51)66-56-25-13-10-22-52(56)64)63-59(62-57)45-30-35-54-50(38-45)60(49-20-8-11-23-53(49)65-54,46-31-26-39-14-4-6-18-43(39)36-46)47-32-27-40-15-5-7-19-44(40)37-47/h1-38H.
What are the key properties of 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 846.99 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 163674287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).