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

C52H31N5OS — CID 155356592

IUPAC6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)n7)cccc6c5c4)oc3c2)cc1
InChIInChI=1S/C52H31N5OS/c1-4-13-32(14-5-1)34-23-26-43-46(31-34)58-52(53-43)36-25-28-47-42(30-36)39-20-12-21-40(48(39)59-47)51-55-49(33-15-6-2-7-16-33)54-50(56-51)35-24-27-45-41(29-35)38-19-10-11-22-44(38)57(45)37-17-8-3-9-18-37/h1-31H
InChIKeyGRXZVWDOLSOKAB-UHFFFAOYSA-N
MW773.92 g/mol
LogP13.81
Rot. Bonds6

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

6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole (PubChem CID 155356592) has the molecular formula C52H31N5OS and a molecular weight of 773.92 g/mol. Its IUPAC name is 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
PubChem CID155356592
Molecular FormulaC52H31N5OS
Molecular Weight773.92 g/mol
Exact Mass773.22
IUPAC Name6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)n7)cccc6c5c4)oc3c2)cc1
InChIInChI=1S/C52H31N5OS/c1-4-13-32(14-5-1)34-23-26-43-46(31-34)58-52(53-43)36-25-28-47-42(30-36)39-20-12-21-40(48(39)59-47)51-55-49(33-15-6-2-7-16-33)54-50(56-51)35-24-27-45-41(29-35)38-19-10-11-22-44(38)57(45)37-17-8-3-9-18-37/h1-31H
InChIKeyGRXZVWDOLSOKAB-UHFFFAOYSA-N
XLogP13.81
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.92
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-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 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
The IUPAC name of 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole (CID 155356592) is 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc3nc(-c4ccc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)n7)cccc6c5c4)oc3c2)cc1.
What is the InChIKey of 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
The InChIKey is GRXZVWDOLSOKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5OS/c1-4-13-32(14-5-1)34-23-26-43-46(31-34)58-52(53-43)36-25-28-47-42(30-36)39-20-12-21-40(48(39)59-47)51-55-49(33-15-6-2-7-16-33)54-50(56-51)35-24-27-45-41(29-35)38-19-10-11-22-44(38)57(45)37-17-8-3-9-18-37/h1-31H.
What are the key properties of 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole?
6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole has a molecular weight of 773.92 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 155356592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).