2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine

C70H44N2O — CID 134529625

About 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine

2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine (PubChem CID 134529625) has the molecular formula C70H44N2O and a molecular weight of 929.14 g/mol. Its IUPAC name is 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine
• PubChem CID: 134529625
• Molecular Formula: C70H44N2O
• Molecular Weight: 929.14 g/mol
• Exact Mass: 928.35
• IUPAC Name: 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine
• SMILES: c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C2(c4ccccc4-c4oc5ccccc5c42)c2ccccc2-3)cc1
• InChI: InChI=1S/C70H44N2O/c1-4-22-45(23-5-1)71(48-40-41-53-52-30-12-18-36-59(52)69(62(53)42-48)57-34-16-10-28-50(57)51-29-11-17-35-58(51)69)49-43-63-66(64(44-49)72(46-24-6-2-7-25-46)47-26-8-3-9-27-47)54-31-13-19-37-60(54)70(63)61-38-20-14-32-55(61)68-67(70)56-33-15-21-39-65(56)73-68/h1-44H
• InChIKey: DIAXDJZHXHWXET-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.14
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine?

The IUPAC name of 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine (CID 134529625) is 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine.

What is the SMILES notation for 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine?

The canonical SMILES for 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C2(c4ccccc4-c4oc5ccccc5c42)c2ccccc2-3)cc1.

What is the InChIKey of 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine?

The InChIKey is DIAXDJZHXHWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O/c1-4-22-45(23-5-1)71(48-40-41-53-52-30-12-18-36-59(52)69(62(53)42-48)57-34-16-10-28-50(57)51-29-11-17-35-58(51)69)49-43-63-66(64(44-49)72(46-24-6-2-7-25-46)47-26-8-3-9-27-47)54-31-13-19-37-60(54)70(63)61-38-20-14-32-55(61)68-67(70)56-33-15-21-39-65(56)73-68/h1-44H.

What are the key properties of 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine?

2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine has a molecular weight of 929.14 g/mol, XLogP of 18.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine is sourced from PubChem (CID 134529625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).