10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine

C51H33N5O — CID 90335786

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)cc1
InChIInChI=1S/C51H33N5O/c1-4-14-34(15-5-1)35-24-28-40(29-25-35)55-43-21-11-10-20-41(43)42-32-38(26-30-44(42)55)39-27-31-46-48(33-39)57-47-23-13-12-22-45(47)56(46)51-53-49(36-16-6-2-7-17-36)52-50(54-51)37-18-8-3-9-19-37/h1-33H
InChIKeyASMADSAEUHOFLV-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.21
Rot. Bonds6

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine (PubChem CID 90335786) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine
PubChem CID90335786
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)cc1
InChIInChI=1S/C51H33N5O/c1-4-14-34(15-5-1)35-24-28-40(29-25-35)55-43-21-11-10-20-41(43)42-32-38(26-30-44(42)55)39-27-31-46-48(33-39)57-47-23-13-12-22-45(47)56(46)51-53-49(36-16-6-2-7-17-36)52-50(54-51)37-18-8-3-9-19-37/h1-33H
InChIKeyASMADSAEUHOFLV-UHFFFAOYSA-N
XLogP13.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine (CID 90335786) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine?
The InChIKey is ASMADSAEUHOFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-4-14-34(15-5-1)35-24-28-40(29-25-35)55-43-21-11-10-20-41(43)42-32-38(26-30-44(42)55)39-27-31-46-48(33-39)57-47-23-13-12-22-45(47)56(46)51-53-49(36-16-6-2-7-17-36)52-50(54-51)37-18-8-3-9-19-37/h1-33H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine has a molecular weight of 731.86 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine is sourced from PubChem (CID 90335786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).