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

C46H29N5O — CID 156661239

IUPAC2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cccc(-c7nc8ccccc8o7)c65)cc4)c3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-3-13-31(14-4-1)43-48-44(32-15-5-2-6-16-32)50-45(49-43)34-18-11-17-33(29-34)30-25-27-35(28-26-30)51-40-23-9-7-19-36(40)37-20-12-21-38(42(37)51)46-47-39-22-8-10-24-41(39)52-46/h1-29H
InChIKeyJBEKUOLESNDBHN-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.44
Rot. Bonds6

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

2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole (PubChem CID 156661239) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
PubChem CID156661239
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cccc(-c7nc8ccccc8o7)c65)cc4)c3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-3-13-31(14-4-1)43-48-44(32-15-5-2-6-16-32)50-45(49-43)34-18-11-17-33(29-34)30-25-27-35(28-26-30)51-40-23-9-7-19-36(40)37-20-12-21-38(42(37)51)46-47-39-22-8-10-24-41(39)52-46/h1-29H
InChIKeyJBEKUOLESNDBHN-UHFFFAOYSA-N
XLogP11.44
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[2-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583167
2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582968
2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583272
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 149084816
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-[4-[12-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583478

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole (CID 156661239) is 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cccc(-c7nc8ccccc8o7)c65)cc4)c3)n2)cc1.
What is the InChIKey of 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole?
The InChIKey is JBEKUOLESNDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-3-13-31(14-4-1)43-48-44(32-15-5-2-6-16-32)50-45(49-43)34-18-11-17-33(29-34)30-25-27-35(28-26-30)51-40-23-9-7-19-36(40)37-20-12-21-38(42(37)51)46-47-39-22-8-10-24-41(39)52-46/h1-29H.
What are the key properties of 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole?
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole has a molecular weight of 667.77 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 156661239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).