2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine

C74H59NO — CID 174281097

About 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine

2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 174281097) has the molecular formula C74H59NO and a molecular weight of 978.29 g/mol. Its IUPAC name is 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
• PubChem CID: 174281097
• Molecular Formula: C74H59NO
• Molecular Weight: 978.29 g/mol
• Exact Mass: 977.46
• IUPAC Name: 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4O3)c3cc(C4CCCCC4)ccc3-c3ccc(C4CCCCC4)cc32)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
• InChI: InChI=1S/C74H59NO/c1-4-20-48(21-5-1)51-36-40-59-60-41-37-52(49-22-6-2-7-23-49)45-67(60)74(66(59)44-51)65-33-17-19-35-71(65)76-72-43-39-54(47-69(72)74)75(70-34-18-13-26-55(70)50-24-8-3-9-25-50)53-38-42-61-58-29-12-16-32-64(58)73(68(61)46-53)62-30-14-10-27-56(62)57-28-11-15-31-63(57)73/h3,8-19,24-49H,1-2,4-7,20-23H2
• InChIKey: HTAKQZXKEUEKAN-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.29
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The IUPAC name of 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 174281097) is 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.

What is the SMILES notation for 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The canonical SMILES for 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4O3)c3cc(C4CCCCC4)ccc3-c3ccc(C4CCCCC4)cc32)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.

What is the InChIKey of 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The InChIKey is HTAKQZXKEUEKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H59NO/c1-4-20-48(21-5-1)51-36-40-59-60-41-37-52(49-22-6-2-7-23-49)45-67(60)74(66(59)44-51)65-33-17-19-35-71(65)76-72-43-39-54(47-69(72)74)75(70-34-18-13-26-55(70)50-24-8-3-9-25-50)53-38-42-61-58-29-12-16-32-64(58)73(68(61)46-53)62-30-14-10-27-56(62)57-28-11-15-31-63(57)73/h3,8-19,24-49H,1-2,4-7,20-23H2.

What are the key properties of 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 978.29 g/mol, XLogP of 19.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 174281097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).