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

C46H27N5OS — CID 155356559

IUPAC2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc(-c5nc6ccccc6o5)cc34)n2)cc1
InChIInChI=1S/C46H27N5OS/c1-3-12-28(13-4-1)30-22-24-39-35(26-30)32-16-7-9-20-38(32)51(39)46-49-43(29-14-5-2-6-15-29)48-44(50-46)34-18-11-17-33-36-27-31(23-25-41(36)53-42(33)34)45-47-37-19-8-10-21-40(37)52-45/h1-27H
InChIKeyOABAFZYELOFINH-UHFFFAOYSA-N
MW697.82 g/mol
LogP12.15
Rot. Bonds5

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

2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole (PubChem CID 155356559) has the molecular formula C46H27N5OS and a molecular weight of 697.82 g/mol. Its IUPAC name is 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
PubChem CID155356559
Molecular FormulaC46H27N5OS
Molecular Weight697.82 g/mol
Exact Mass697.19
IUPAC Name2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc(-c5nc6ccccc6o5)cc34)n2)cc1
InChIInChI=1S/C46H27N5OS/c1-3-12-28(13-4-1)30-22-24-39-35(26-30)32-16-7-9-20-38(32)51(39)46-49-43(29-14-5-2-6-15-29)48-44(50-46)34-18-11-17-33-36-27-31(23-25-41(36)53-42(33)34)45-47-37-19-8-10-21-40(37)52-45/h1-27H
InChIKeyOABAFZYELOFINH-UHFFFAOYSA-N
XLogP12.15
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.82
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole (CID 155356559) is 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc(-c5nc6ccccc6o5)cc34)n2)cc1.
What is the InChIKey of 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
The InChIKey is OABAFZYELOFINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5OS/c1-3-12-28(13-4-1)30-22-24-39-35(26-30)32-16-7-9-20-38(32)51(39)46-49-43(29-14-5-2-6-15-29)48-44(50-46)34-18-11-17-33-36-27-31(23-25-41(36)53-42(33)34)45-47-37-19-8-10-21-40(37)52-45/h1-27H.
What are the key properties of 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole has a molecular weight of 697.82 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 155356559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).