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

C45H28N4S — CID 177287155

IUPAC9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H28N4S/c1-3-13-29(14-4-1)31-23-25-36(40(28-31)49-38-20-10-7-17-33(38)34-18-8-11-21-39(34)49)45-47-43(30-15-5-2-6-16-30)46-44(48-45)32-24-26-42-37(27-32)35-19-9-12-22-41(35)50-42/h1-28H
InChIKeyBKBJAFAJVDTRMA-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

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

9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole (PubChem CID 177287155) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
PubChem CID177287155
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H28N4S/c1-3-13-29(14-4-1)31-23-25-36(40(28-31)49-38-20-10-7-17-33(38)34-18-8-11-21-39(34)49)45-47-43(30-15-5-2-6-16-30)46-44(48-45)32-24-26-42-37(27-32)35-19-9-12-22-41(35)50-42/h1-28H
InChIKeyBKBJAFAJVDTRMA-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500355
9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 155120615
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 172500329
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 142577032
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The IUPAC name of 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole (CID 177287155) is 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The InChIKey is BKBJAFAJVDTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S/c1-3-13-29(14-4-1)31-23-25-36(40(28-31)49-38-20-10-7-17-33(38)34-18-8-11-21-39(34)49)45-47-43(30-15-5-2-6-16-30)46-44(48-45)32-24-26-42-37(27-32)35-19-9-12-22-41(35)50-42/h1-28H.
What are the key properties of 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole has a molecular weight of 656.81 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 177287155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).