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

C41H24N6O2 — CID 155366221

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ncncn3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1
InChIInChI=1S/C41H24N6O2/c1-2-8-25(9-3-1)28-18-29(39-43-23-42-24-44-39)20-30(19-28)47-35-16-14-26(40-45-33-10-4-6-12-37(33)48-40)21-31(35)32-22-27(15-17-36(32)47)41-46-34-11-5-7-13-38(34)49-41/h1-24H
InChIKeyNTUVBUTYNNBGQV-UHFFFAOYSA-N
MW632.68 g/mol
LogP9.92
Rot. Bonds5

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

2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 155366221) has the molecular formula C41H24N6O2 and a molecular weight of 632.68 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
PubChem CID155366221
Molecular FormulaC41H24N6O2
Molecular Weight632.68 g/mol
Exact Mass632.20
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ncncn3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1
InChIInChI=1S/C41H24N6O2/c1-2-8-25(9-3-1)28-18-29(39-43-23-42-24-44-39)20-30(19-28)47-35-16-14-26(40-45-33-10-4-6-12-37(33)48-40)21-31(35)32-22-27(15-17-36(32)47)41-46-34-11-5-7-13-38(34)49-41/h1-24H
InChIKeyNTUVBUTYNNBGQV-UHFFFAOYSA-N
XLogP9.92
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.68
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;bis(2-[6-(1,3-benzoxazol-2-yl)-9-[3-naphthalen-2-yl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole);2-[6-(1,3-benzoxazol-2-yl)-9-[3-(4-phenylphenyl)-5-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(4-phenylphenyl)-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 160762846
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole
CID 155366230
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
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-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (CID 155366221) is 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2cc(-c3ncncn3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is NTUVBUTYNNBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6O2/c1-2-8-25(9-3-1)28-18-29(39-43-23-42-24-44-39)20-30(19-28)47-35-16-14-26(40-45-33-10-4-6-12-37(33)48-40)21-31(35)32-22-27(15-17-36(32)47)41-46-34-11-5-7-13-38(34)49-41/h1-24H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 632.68 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).