7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole

C67H39N5O2 — CID 142569498

About 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole

7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole (PubChem CID 142569498) has the molecular formula C67H39N5O2 and a molecular weight of 946.08 g/mol. Its IUPAC name is 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole
• PubChem CID: 142569498
• Molecular Formula: C67H39N5O2
• Molecular Weight: 946.08 g/mol
• Exact Mass: 945.31
• IUPAC Name: 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole
• SMILES: c1cc(-c2cccc3oc4ccccc4c23)cc(-c2cccc3c4c5ccccc5ccc4n(-c4cccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4)c23)c1
• InChI: InChI=1S/C67H39N5O2/c1-2-20-46-40(15-1)34-36-57-62(46)54-27-13-26-48(42-17-11-16-41(37-42)47-25-14-32-60-63(47)53-24-6-10-31-59(53)73-60)64(54)71(57)45-19-12-18-43(38-45)65-68-66(44-33-35-52-51-23-5-9-30-58(51)74-61(52)39-44)70-67(69-65)72-55-28-7-3-21-49(55)50-22-4-8-29-56(50)72/h1-39H
• InChIKey: QKEYMIZEJSSHNA-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.08
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole?

The IUPAC name of 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole (CID 142569498) is 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole.

What is the SMILES notation for 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole?

The canonical SMILES for 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole is c1cc(-c2cccc3oc4ccccc4c23)cc(-c2cccc3c4c5ccccc5ccc4n(-c4cccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4)c23)c1.

What is the InChIKey of 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole?

The InChIKey is QKEYMIZEJSSHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N5O2/c1-2-20-46-40(15-1)34-36-57-62(46)54-27-13-26-48(42-17-11-16-41(37-42)47-25-14-32-60-63(47)53-24-6-10-31-59(53)73-60)64(54)71(57)45-19-12-18-43(38-45)65-68-66(44-33-35-52-51-23-5-9-30-58(51)74-61(52)39-44)70-67(69-65)72-55-28-7-3-21-49(55)50-22-4-8-29-56(50)72/h1-39H.

What are the key properties of 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole?

7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole has a molecular weight of 946.08 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole is sourced from PubChem (CID 142569498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).