6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

C72H48N2 — CID 168775309

About 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (PubChem CID 168775309) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.

Molecular Properties

• Compound Name: 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
• PubChem CID: 168775309
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2c(N(c2ccccc2)c2cccc4c2-c2ccccc2C4(c2ccccc2)c2ccccc2)cc2ccccc32)cc1
• InChI: InChI=1S/C72H48N2/c1-6-26-50(27-7-1)71(51-28-8-2-9-29-51)62-41-22-20-39-60(62)69-64(71)43-24-44-66(69)74(54-34-14-5-15-35-54)67-47-49-25-16-17-36-56(49)68-59-38-19-23-42-63(59)72(70(67)68)61-40-21-18-37-57(61)58-46-45-55(48-65(58)72)73(52-30-10-3-11-31-52)53-32-12-4-13-33-53/h1-48H
• InChIKey: NYRXZNFOWQJTPR-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.19
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?

The IUPAC name of 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (CID 168775309) is 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.

What is the SMILES notation for 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?

The canonical SMILES for 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2c(N(c2ccccc2)c2cccc4c2-c2ccccc2C4(c2ccccc2)c2ccccc2)cc2ccccc32)cc1.

What is the InChIKey of 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?

The InChIKey is NYRXZNFOWQJTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-6-26-50(27-7-1)71(51-28-8-2-9-29-51)62-41-22-20-39-60(62)69-64(71)43-24-44-66(69)74(54-34-14-5-15-35-54)67-47-49-25-16-17-36-56(49)68-59-38-19-23-42-63(59)72(70(67)68)61-40-21-18-37-57(61)58-46-45-55(48-65(58)72)73(52-30-10-3-11-31-52)53-32-12-4-13-33-53/h1-48H.

What are the key properties of 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?

6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine has a molecular weight of 941.19 g/mol, XLogP of 18.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is sourced from PubChem (CID 168775309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).