9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole

C72H47N3O — CID 142347158

About 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole (PubChem CID 142347158) has the molecular formula C72H47N3O and a molecular weight of 970.19 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
• PubChem CID: 142347158
• Molecular Formula: C72H47N3O
• Molecular Weight: 970.19 g/mol
• Exact Mass: 969.37
• IUPAC Name: 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
• SMILES: C1=c2oc3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3c2=CC(c2ccc3c(c2)c2cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc2n3-c2ccccc2)C1
• InChI: InChI=1S/C72H47N3O/c1-4-18-53(19-5-1)73-65-28-13-11-25-58(65)60-41-47(31-36-66(60)73)46-16-14-17-52(40-46)56-26-15-29-71-72(56)63-44-50(34-39-70(63)76-71)48-32-37-67-61(42-48)62-43-49(33-38-68(62)74(67)54-20-6-2-7-21-54)51-30-35-59-57-24-10-12-27-64(57)75(69(59)45-51)55-22-8-3-9-23-55/h1-33,35-45,50H,34H2
• InChIKey: VIQVOPQETHNBFC-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 27.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.19
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole?

The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole (CID 142347158) is 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole is C1=c2oc3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3c2=CC(c2ccc3c(c2)c2cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc2n3-c2ccccc2)C1.

What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole?

The InChIKey is VIQVOPQETHNBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N3O/c1-4-18-53(19-5-1)73-65-28-13-11-25-58(65)60-41-47(31-36-66(60)73)46-16-14-17-52(40-46)56-26-15-29-71-72(56)63-44-50(34-39-70(63)76-71)48-32-37-67-61(42-48)62-43-49(33-38-68(62)74(67)54-20-6-2-7-21-54)51-30-35-59-57-24-10-12-27-64(57)75(69(59)45-51)55-22-8-3-9-23-55/h1-33,35-45,50H,34H2.

What are the key properties of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole?

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole has a molecular weight of 970.19 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole is sourced from PubChem (CID 142347158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).