1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

C70H42N4O2S — CID 142568365

About 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 142568365) has the molecular formula C70H42N4O2S and a molecular weight of 1003.20 g/mol. Its IUPAC name is 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 142568365
• Molecular Formula: C70H42N4O2S
• Molecular Weight: 1003.20 g/mol
• Exact Mass: 1002.30
• IUPAC Name: 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: C1=CCc2sc3c(-c4cc(-c5ccccc5)cc(-c5cccc6c7cc(-c8cccc9c8oc8ccccc89)ccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c56)c4)cccc3c2C=C1
• InChI: InChI=1S/C70H42N4O2S/c1-4-17-42(18-5-1)46-37-47(39-48(38-46)51-26-16-29-58-55-23-8-3-9-32-64(55)77-67(51)58)49-24-14-27-56-59-40-44(50-25-15-28-57-53-22-11-13-31-62(53)76-66(50)57)34-36-60(59)74(65(49)56)70-72-68(43-19-6-2-7-20-43)71-69(73-70)45-33-35-54-52-21-10-12-30-61(52)75-63(54)41-45/h1-31,33-41H,32H2
• InChIKey: UQYXSOTZQVMNLZ-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 69.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.20
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 142568365) is 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

What is the SMILES notation for 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

The canonical SMILES for 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is C1=CCc2sc3c(-c4cc(-c5ccccc5)cc(-c5cccc6c7cc(-c8cccc9c8oc8ccccc89)ccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c56)c4)cccc3c2C=C1.

What is the InChIKey of 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

The InChIKey is UQYXSOTZQVMNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4O2S/c1-4-17-42(18-5-1)46-37-47(39-48(38-46)51-26-16-29-58-55-23-8-3-9-32-64(55)77-67(51)58)49-24-14-27-56-59-40-44(50-25-15-28-57-53-22-11-13-31-62(53)76-66(50)57)34-36-60(59)74(65(49)56)70-72-68(43-19-6-2-7-20-43)71-69(73-70)45-33-35-54-52-21-10-12-30-61(52)75-63(54)41-45/h1-31,33-41H,32H2.

What are the key properties of 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1003.20 g/mol, XLogP of 19.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6H-cyclohepta[b][1]benzothiol-4-yl)-5-phenylphenyl]-6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 142568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).