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

C40H25N5O — CID 155444658

IUPAC2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7o6)cc54)c3)n2)cc1
InChIInChI=1S/C40H25N5O/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)28-16-11-17-30(24-28)45-34-20-9-7-18-31(34)32-23-22-29(25-35(32)45)40-41-33-19-8-10-21-36(33)46-40/h1-25H
InChIKeyNNYJWBALQJBEHJ-UHFFFAOYSA-N
MW591.67 g/mol
LogP9.78
Rot. Bonds5

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

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 155444658) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
PubChem CID155444658
Molecular FormulaC40H25N5O
Molecular Weight591.67 g/mol
Exact Mass591.21
IUPAC Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7o6)cc54)c3)n2)cc1
InChIInChI=1S/C40H25N5O/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)28-16-11-17-30(24-28)45-34-20-9-7-18-31(34)32-23-22-29(25-35(32)45)40-41-33-19-8-10-21-36(33)46-40/h1-25H
InChIKeyNNYJWBALQJBEHJ-UHFFFAOYSA-N
XLogP9.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661248
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-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 149084816
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 147387769
2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 160699885
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
2-[3-[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 166583306

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole (CID 155444658) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7o6)cc54)c3)n2)cc1.
What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is NNYJWBALQJBEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)28-16-11-17-30(24-28)45-34-20-9-7-18-31(34)32-23-22-29(25-35(32)45)40-41-33-19-8-10-21-36(33)46-40/h1-25H.
What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 591.67 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 155444658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).