9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine

C71H51N — CID 129263948

About 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine (PubChem CID 129263948) has the molecular formula C71H51N and a molecular weight of 918.20 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
• PubChem CID: 129263948
• Molecular Formula: C71H51N
• Molecular Weight: 918.20 g/mol
• Exact Mass: 917.40
• IUPAC Name: 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
• SMILES: Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc(-c6ccc(-c7ccccc7)cc6)cc4-5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C71H51N/c1-46-21-23-48(24-22-46)50-29-35-55(36-30-50)72(57-39-41-61-58-15-7-10-18-64(58)70(2,3)68(61)45-57)56-37-31-52(32-38-56)54-33-40-62-63-43-53(51-27-25-49(26-28-51)47-13-5-4-6-14-47)34-42-67(63)71(69(62)44-54)65-19-11-8-16-59(65)60-17-9-12-20-66(60)71/h4-45H,1-3H3
• InChIKey: UTJTWTWWXUUJHG-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.20
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine (CID 129263948) is 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc(-c6ccc(-c7ccccc7)cc6)cc4-5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.

What is the InChIKey of 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

The InChIKey is UTJTWTWWXUUJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N/c1-46-21-23-48(24-22-46)50-29-35-55(36-30-50)72(57-39-41-61-58-15-7-10-18-64(58)70(2,3)68(61)45-57)56-37-31-52(32-38-56)54-33-40-62-63-43-53(51-27-25-49(26-28-51)47-13-5-4-6-14-47)34-42-67(63)71(69(62)44-54)65-19-11-8-16-59(65)60-17-9-12-20-66(60)71/h4-45H,1-3H3.

What are the key properties of 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine has a molecular weight of 918.20 g/mol, XLogP of 18.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 129263948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).