2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine

C63H38N2O3 — CID 134529776

About 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine

2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine (PubChem CID 134529776) has the molecular formula C63H38N2O3 and a molecular weight of 871.01 g/mol. Its IUPAC name is 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine.

Molecular Properties

• Compound Name: 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
• PubChem CID: 134529776
• Molecular Formula: C63H38N2O3
• Molecular Weight: 871.01 g/mol
• Exact Mass: 870.29
• IUPAC Name: 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
• SMILES: c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc3-c3c2oc2ccccc32)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C63H38N2O3/c1-3-15-39(16-4-1)64(41-29-33-59-51(35-41)47-20-8-12-24-56(47)66-59)43-27-31-46-45-19-7-11-23-53(45)63(54(46)37-43)55-38-44(28-32-49(55)61-50-22-10-14-26-58(50)68-62(61)63)65(40-17-5-2-6-18-40)42-30-34-60-52(36-42)48-21-9-13-25-57(48)67-60/h1-38H
• InChIKey: HQPMQUYXNMNMDS-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 45.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.01
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

The IUPAC name of 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine (CID 134529776) is 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine.

What is the SMILES notation for 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

The canonical SMILES for 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc3-c3c2oc2ccccc32)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

The InChIKey is HQPMQUYXNMNMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2O3/c1-3-15-39(16-4-1)64(41-29-33-59-51(35-41)47-20-8-12-24-56(47)66-59)43-27-31-46-45-19-7-11-23-53(45)63(54(46)37-43)55-38-44(28-32-49(55)61-50-22-10-14-26-58(50)68-62(61)63)65(40-17-5-2-6-18-40)42-30-34-60-52(36-42)48-21-9-13-25-57(48)67-60/h1-38H.

What are the key properties of 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine has a molecular weight of 871.01 g/mol, XLogP of 17.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine is sourced from PubChem (CID 134529776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).