10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine

C45H27F2N5O — CID 163489087

IUPAC10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4cc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccc43)n2)cc1
InChIInChI=1S/C45H27F2N5O/c46-32-20-13-29(14-21-32)43-48-44(30-15-22-33(47)23-16-30)50-45(49-43)52-37-8-2-1-7-35(37)36-27-31(19-26-38(36)52)28-17-24-34(25-18-28)51-39-9-3-5-11-41(39)53-42-12-6-4-10-40(42)51/h1-27H
InChIKeyCLAXUPHHIOFEAU-UHFFFAOYSA-N
MW691.74 g/mol
LogP11.82
Rot. Bonds5

About 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine

10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine (PubChem CID 163489087) has the molecular formula C45H27F2N5O and a molecular weight of 691.74 g/mol. Its IUPAC name is 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine
PubChem CID163489087
Molecular FormulaC45H27F2N5O
Molecular Weight691.74 g/mol
Exact Mass691.22
IUPAC Name10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4cc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccc43)n2)cc1
InChIInChI=1S/C45H27F2N5O/c46-32-20-13-29(14-21-32)43-48-44(30-15-22-33(47)23-16-30)50-45(49-43)52-37-8-2-1-7-35(37)36-27-31(19-26-38(36)52)28-17-24-34(25-18-28)51-39-9-3-5-11-41(39)53-42-12-6-4-10-40(42)51/h1-27H
InChIKeyCLAXUPHHIOFEAU-UHFFFAOYSA-N
XLogP11.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.74
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine with MolForge

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Related Compounds

Phenoxazine-2,4,6-triphenyl-1,3,5-triazine
CID 102311758
6-[4-(4-Indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline
CID 45276791
3-[4,5-Bis[4-(4-methylpiperazin-1-yl)phenyl]-1-(4-phenylmethoxyphenyl)imidazol-2-yl]-9-ethylcarbazole
CID 168273174
12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
CID 11477411
10-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]phenoxazine;dichloromethane
CID 168341575
6-[4-(4-Methylphenoxy)phenyl]indolo[1,2-c]quinazoline
CID 71594670
9,9'-(6-(4-Iodophenoxy)-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609367
9,9'-(6-Iodophenoxy-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609368
3-(4,6-Diphenoxy-1,3,5-triazin-2-yl)-9-phenyl-9h-carbazole
CID 102308208
9-[5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole
CID 135225902
1-Amino-3-[2-(4-fluorophenoxy)-6-methylquinolin-3-yl]pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 76320579
3-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole
CID 58511314

Frequently Asked Questions

What is the IUPAC name of 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine (CID 163489087) is 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4cc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccc43)n2)cc1.
What is the InChIKey of 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine?
The InChIKey is CLAXUPHHIOFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27F2N5O/c46-32-20-13-29(14-21-32)43-48-44(30-15-22-33(47)23-16-30)50-45(49-43)52-37-8-2-1-7-35(37)36-27-31(19-26-38(36)52)28-17-24-34(25-18-28)51-39-9-3-5-11-41(39)53-42-12-6-4-10-40(42)51/h1-27H.
What are the key properties of 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine?
10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine has a molecular weight of 691.74 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 163489087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).