10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole

C64H38N2OS — CID 163849654

About 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole

10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole (PubChem CID 163849654) has the molecular formula C64H38N2OS and a molecular weight of 883.09 g/mol. Its IUPAC name is 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole
• PubChem CID: 163849654
• Molecular Formula: C64H38N2OS
• Molecular Weight: 883.09 g/mol
• Exact Mass: 882.27
• IUPAC Name: 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)ccc2n3-c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C64H38N2OS/c1-2-11-39(12-3-1)42-24-30-55-51(35-42)52-36-44(25-31-56(52)66(55)59-18-10-17-50-48-15-6-8-19-60(48)67-64(50)59)45-26-32-57-54(38-45)63-47-14-5-4-13-41(47)23-33-58(63)65(57)46-28-21-40(22-29-46)43-27-34-62-53(37-43)49-16-7-9-20-61(49)68-62/h1-38H
• InChIKey: OTGHPOCHUPEBKN-UHFFFAOYSA-N
• XLogP: 18.30
• TPSA: 23.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.09
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole?

The IUPAC name of 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole (CID 163849654) is 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole.

What is the SMILES notation for 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole?

The canonical SMILES for 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)ccc2n3-c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole?

The InChIKey is OTGHPOCHUPEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N2OS/c1-2-11-39(12-3-1)42-24-30-55-51(35-42)52-36-44(25-31-56(52)66(55)59-18-10-17-50-48-15-6-8-19-60(48)67-64(50)59)45-26-32-57-54(38-45)63-47-14-5-4-13-41(47)23-33-58(63)65(57)46-28-21-40(22-29-46)43-27-34-62-53(37-43)49-16-7-9-20-61(49)68-62/h1-38H.

What are the key properties of 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole?

10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole has a molecular weight of 883.09 g/mol, XLogP of 18.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole is sourced from PubChem (CID 163849654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).