5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C73H44N2O — CID 134313263

About 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 134313263) has the molecular formula C73H44N2O and a molecular weight of 965.17 g/mol. Its IUPAC name is 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

• Compound Name: 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
• PubChem CID: 134313263
• Molecular Formula: C73H44N2O
• Molecular Weight: 965.17 g/mol
• Exact Mass: 964.35
• IUPAC Name: 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc(-c6cccc8c6oc6ccccc68)cc5)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)ccc43)c2)cc1
• InChI: InChI=1S/C73H44N2O/c1-2-16-45(17-3-1)47-18-14-19-51(40-47)75-67-30-12-7-23-56(67)60-41-48(34-38-68(60)75)49-35-39-69-61(42-49)62-43-59-55-22-6-11-29-65(55)73(63-27-9-4-20-53(63)54-21-5-10-28-64(54)73)66(59)44-70(62)74(69)50-36-32-46(33-37-50)52-25-15-26-58-57-24-8-13-31-71(57)76-72(52)58/h1-44H
• InChIKey: LVOSQXORAFUEAI-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.17
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The IUPAC name of 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 134313263) is 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

What is the SMILES notation for 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The canonical SMILES for 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc(-c6cccc8c6oc6ccccc68)cc5)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)ccc43)c2)cc1.

What is the InChIKey of 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The InChIKey is LVOSQXORAFUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N2O/c1-2-16-45(17-3-1)47-18-14-19-51(40-47)75-67-30-12-7-23-56(67)60-41-48(34-38-68(60)75)49-35-39-69-61(42-49)62-43-59-55-22-6-11-29-65(55)73(63-27-9-4-20-53(63)54-21-5-10-28-64(54)73)66(59)44-70(62)74(69)50-36-32-46(33-37-50)52-25-15-26-58-57-24-8-13-31-71(57)76-72(52)58/h1-44H.

What are the key properties of 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 965.17 g/mol, XLogP of 19.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 134313263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).