4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

C72H46N2 — CID 168775249

About 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (PubChem CID 168775249) has the molecular formula C72H46N2 and a molecular weight of 939.17 g/mol. Its IUPAC name is 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.

Molecular Properties

• Compound Name: 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
• PubChem CID: 168775249
• Molecular Formula: C72H46N2
• Molecular Weight: 939.17 g/mol
• Exact Mass: 938.37
• IUPAC Name: 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2cccc4c2C2(c5ccccc5-c5ccccc52)c2ccccc2-4)cc2ccccc32)cc1
• InChI: InChI=1S/C72H46N2/c1-4-25-48(26-5-1)73(49-27-6-2-7-28-49)64-44-23-43-63-68(64)57-36-16-21-42-62(57)72(63)61-41-20-15-35-56(61)67-51-31-11-10-24-47(51)46-66(70(67)72)74(50-29-8-3-9-30-50)65-45-22-37-55-54-34-14-19-40-60(54)71(69(55)65)58-38-17-12-32-52(58)53-33-13-18-39-59(53)71/h1-46H
• InChIKey: HFQXERRMBVMPLH-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.17
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?

The IUPAC name of 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (CID 168775249) is 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.

What is the SMILES notation for 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?

The canonical SMILES for 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is c1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2cccc4c2C2(c5ccccc5-c5ccccc52)c2ccccc2-4)cc2ccccc32)cc1.

What is the InChIKey of 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?

The InChIKey is HFQXERRMBVMPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2/c1-4-25-48(26-5-1)73(49-27-6-2-7-28-49)64-44-23-43-63-68(64)57-36-16-21-42-62(57)72(63)61-41-20-15-35-56(61)67-51-31-11-10-24-47(51)46-66(70(67)72)74(50-29-8-3-9-30-50)65-45-22-37-55-54-34-14-19-40-60(54)71(69(55)65)58-38-17-12-32-52(58)53-33-13-18-39-59(53)71/h1-46H.

What are the key properties of 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?

4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine has a molecular weight of 939.17 g/mol, XLogP of 18.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is sourced from PubChem (CID 168775249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).