10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole

C64H39N7O — CID 163659865

About 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole

10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole (PubChem CID 163659865) has the molecular formula C64H39N7O and a molecular weight of 922.06 g/mol. Its IUPAC name is 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole.

Molecular Properties

• Compound Name: 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
• PubChem CID: 163659865
• Molecular Formula: C64H39N7O
• Molecular Weight: 922.06 g/mol
• Exact Mass: 921.32
• IUPAC Name: 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
• SMILES: c1ccc(-n2ccc3c2ccc2c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4cccc(-c5nc(-c6ccccn6)nc(-c6cccc7c6oc6ccccc67)n5)c4)c23)cc1
• InChI: InChI=1S/C64H39N7O/c1-3-16-43(17-4-1)69-36-34-50-55(69)33-30-48-53-39-41(40-28-31-57-52(38-40)46-21-7-9-26-56(46)70(57)44-18-5-2-6-19-44)29-32-58(53)71(60(48)50)45-20-13-15-42(37-45)62-66-63(68-64(67-62)54-25-11-12-35-65-54)51-24-14-23-49-47-22-8-10-27-59(47)72-61(49)51/h1-39H
• InChIKey: ITLWYGXIFJKFCA-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.06
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

The IUPAC name of 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole (CID 163659865) is 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole.

What is the SMILES notation for 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

The canonical SMILES for 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4cccc(-c5nc(-c6ccccn6)nc(-c6cccc7c6oc6ccccc67)n5)c4)c23)cc1.

What is the InChIKey of 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

The InChIKey is ITLWYGXIFJKFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N7O/c1-3-16-43(17-4-1)69-36-34-50-55(69)33-30-48-53-39-41(40-28-31-57-52(38-40)46-21-7-9-26-56(46)70(57)44-18-5-2-6-19-44)29-32-58(53)71(60(48)50)45-20-13-15-42(37-45)62-66-63(68-64(67-62)54-25-11-12-35-65-54)51-24-14-23-49-47-22-8-10-27-59(47)72-61(49)51/h1-39H.

What are the key properties of 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole has a molecular weight of 922.06 g/mol, XLogP of 15.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4-dibenzofuran-4-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 163659865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).