9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine

C74H65N — CID 166049015

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine (PubChem CID 166049015) has the molecular formula C74H65N and a molecular weight of 968.34 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
• PubChem CID: 166049015
• Molecular Formula: C74H65N
• Molecular Weight: 968.34 g/mol
• Exact Mass: 967.51
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
• SMILES: CC(C)(C)CC(c1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc31)c1ccccc1-2)C(C)(C)C
• InChI: InChI=1S/C74H65N/c1-71(2,3)47-70(72(4,5)6)57-23-13-12-22-56(57)52-35-42-63-60-26-16-19-29-66(60)74(69(63)45-52)65-28-18-15-25-59(65)62-41-34-51(44-68(62)74)50-32-38-54(39-33-50)75(53-36-30-49(31-37-53)48-20-10-9-11-21-48)55-40-43-61-58-24-14-17-27-64(58)73(7,8)67(61)46-55/h9-46,70H,47H2,1-8H3
• InChIKey: VCBAMOYEKNVHDU-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.34
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine (CID 166049015) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine is CC(C)(C)CC(c1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc31)c1ccccc1-2)C(C)(C)C.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

The InChIKey is VCBAMOYEKNVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H65N/c1-71(2,3)47-70(72(4,5)6)57-23-13-12-22-56(57)52-35-42-63-60-26-16-19-29-66(60)74(69(63)45-52)65-28-18-15-25-59(65)62-41-34-51(44-68(62)74)50-32-38-54(39-33-50)75(53-36-30-49(31-37-53)48-20-10-9-11-21-48)55-40-43-61-58-24-14-17-27-64(58)73(7,8)67(61)46-55/h9-46,70H,47H2,1-8H3.

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine has a molecular weight of 968.34 g/mol, XLogP of 20.37, 8 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-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 166049015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).