9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine

C118H98N2 — CID 161011952

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine (PubChem CID 161011952) has the molecular formula C118H98N2 and a molecular weight of 1544.10 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine
• PubChem CID: 161011952
• Molecular Formula: C118H98N2
• Molecular Weight: 1544.10 g/mol
• Exact Mass: 1542.77
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4cccc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c34)cccc21
• InChI: InChI=1S/2C59H49N/c1-58(2)50-23-8-7-19-49(50)56-52(58)25-13-27-54(56)60(44-30-28-40(29-31-44)39-14-4-3-5-15-39)53-26-11-17-41-16-10-20-46(55(41)53)48-22-12-21-47-45-18-6-9-24-51(45)59(57(47)48)42-33-37-32-38(35-42)36-43(59)34-37;1-58(2)51-22-10-9-19-50(51)56-53(58)24-13-25-55(56)60(43-28-26-40(27-29-43)39-14-4-3-5-15-39)54-31-30-45(44-16-6-7-18-47(44)54)48-20-12-21-49-46-17-8-11-23-52(46)59(57(48)49)41-33-37-32-38(35-41)36-42(59)34-37/h3-31,37-38,42-43H,32-36H2,1-2H3;3-31,37-38,41-42H,32-36H2,1-2H3
• InChIKey: TXFUNEPWENRUHN-UHFFFAOYSA-N
• XLogP: 31.34
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1544.10
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine (CID 161011952) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4cccc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c34)cccc21.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine?

The InChIKey is TXFUNEPWENRUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H49N/c1-58(2)50-23-8-7-19-49(50)56-52(58)25-13-27-54(56)60(44-30-28-40(29-31-44)39-14-4-3-5-15-39)53-26-11-17-41-16-10-20-46(55(41)53)48-22-12-21-47-45-18-6-9-24-51(45)59(57(47)48)42-33-37-32-38(35-42)36-43(59)34-37;1-58(2)51-22-10-9-19-50(51)56-53(58)24-13-25-55(56)60(43-28-26-40(27-29-43)39-14-4-3-5-15-39)54-31-30-45(44-16-6-7-18-47(44)54)48-20-12-21-49-46-17-8-11-23-52(46)59(57(48)49)41-33-37-32-38(35-41)36-42(59)34-37/h3-31,37-38,42-43H,32-36H2,1-2H3;3-31,37-38,41-42H,32-36H2,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine?

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine has a molecular weight of 1544.10 g/mol, XLogP of 31.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine is sourced from PubChem (CID 161011952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).