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

C57H37N5O — CID 134475859

IUPAC3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc8c(c7)Oc7ccccc7N8c7ccccc7)c6)cc54)c3)n2)cc1
InChIInChI=1S/C57H37N5O/c1-4-16-38(17-5-1)55-58-56(39-18-6-2-7-19-39)60-57(59-55)44-22-15-25-46(35-44)62-49-27-11-10-26-47(49)48-32-30-42(36-52(48)62)40-20-14-21-41(34-40)43-31-33-51-54(37-43)63-53-29-13-12-28-50(53)61(51)45-23-8-3-9-24-45/h1-37H
InChIKeyHSXAEFDJKSSNRL-UHFFFAOYSA-N
MW807.96 g/mol
LogP14.88
Rot. Bonds7

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

3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine (PubChem CID 134475859) has the molecular formula C57H37N5O and a molecular weight of 807.96 g/mol. Its IUPAC name is 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine.

Molecular Properties

Compound Name3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
PubChem CID134475859
Molecular FormulaC57H37N5O
Molecular Weight807.96 g/mol
Exact Mass807.30
IUPAC Name3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc8c(c7)Oc7ccccc7N8c7ccccc7)c6)cc54)c3)n2)cc1
InChIInChI=1S/C57H37N5O/c1-4-16-38(17-5-1)55-58-56(39-18-6-2-7-19-39)60-57(59-55)44-22-15-25-46(35-44)62-49-27-11-10-26-47(49)48-32-30-42(36-52(48)62)40-20-14-21-41(34-40)43-31-33-51-54(37-43)63-53-29-13-12-28-50(53)61(51)45-23-8-3-9-24-45/h1-37H
InChIKeyHSXAEFDJKSSNRL-UHFFFAOYSA-N
XLogP14.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.96
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
CID 118517036
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 90335790
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
CID 134475762
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179596
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,16-diphenyl-26-(3-phenylphenyl)-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 145243640

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine?
The IUPAC name of 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine (CID 134475859) is 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine.
What is the SMILES notation for 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine?
The canonical SMILES for 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc8c(c7)Oc7ccccc7N8c7ccccc7)c6)cc54)c3)n2)cc1.
What is the InChIKey of 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine?
The InChIKey is HSXAEFDJKSSNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5O/c1-4-16-38(17-5-1)55-58-56(39-18-6-2-7-19-39)60-57(59-55)44-22-15-25-46(35-44)62-49-27-11-10-26-47(49)48-32-30-42(36-52(48)62)40-20-14-21-41(34-40)43-31-33-51-54(37-43)63-53-29-13-12-28-50(53)61(51)45-23-8-3-9-24-45/h1-37H.
What are the key properties of 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine?
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine has a molecular weight of 807.96 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine is sourced from PubChem (CID 134475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).