7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole

C40H23N5OS — CID 170681680

IUPAC7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C40H23N5OS/c1-2-12-24(13-3-1)39-41-30-19-10-18-29(36(30)46-39)38-42-37(28-17-11-23-34-35(28)27-16-6-9-22-33(27)47-34)43-40(44-38)45-31-20-7-4-14-25(31)26-15-5-8-21-32(26)45/h1-23H
InChIKeySNWITGBPLJUUHE-UHFFFAOYSA-N
MW621.73 g/mol
LogP10.48
Rot. Bonds4

About 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole

7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole (PubChem CID 170681680) has the molecular formula C40H23N5OS and a molecular weight of 621.73 g/mol. Its IUPAC name is 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
PubChem CID170681680
Molecular FormulaC40H23N5OS
Molecular Weight621.73 g/mol
Exact Mass621.16
IUPAC Name7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C40H23N5OS/c1-2-12-24(13-3-1)39-41-30-19-10-18-29(36(30)46-39)38-42-37(28-17-11-23-34-35(28)27-16-6-9-22-33(27)47-34)43-40(44-38)45-31-20-7-4-14-25(31)26-15-5-8-21-32(26)45/h1-23H
InChIKeySNWITGBPLJUUHE-UHFFFAOYSA-N
XLogP10.48
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.73
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 147296316
2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176756303
9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
CID 176764410
2-phenyl-7-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582921

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole (CID 170681680) is 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1.
What is the InChIKey of 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The InChIKey is SNWITGBPLJUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5OS/c1-2-12-24(13-3-1)39-41-30-19-10-18-29(36(30)46-39)38-42-37(28-17-11-23-34-35(28)27-16-6-9-22-33(27)47-34)43-40(44-38)45-31-20-7-4-14-25(31)26-15-5-8-21-32(26)45/h1-23H.
What are the key properties of 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole has a molecular weight of 621.73 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 170681680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).