N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

C85H64N2 — CID 177287831

About N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 177287831) has the molecular formula C85H64N2 and a molecular weight of 1113.46 g/mol. Its IUPAC name is N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 177287831
• Molecular Formula: C85H64N2
• Molecular Weight: 1113.46 g/mol
• Exact Mass: 1112.51
• IUPAC Name: N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
• SMILES: Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6ccccc6c5)cc4)c(-c4ccccc4)c3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2
• InChI: InChI=1S/C85H64N2/c1-53-28-40-69-71-43-37-62(50-80(71)83(3,4)78(69)46-53)87(63-38-44-72-70-41-29-54(2)47-79(70)84(5,6)81(72)51-63)61-36-42-65(74(49-61)56-19-8-7-9-20-56)57-31-33-59(34-32-57)86(60-35-30-55-18-10-11-21-58(55)48-60)64-39-45-73-68-24-14-17-27-77(68)85(82(73)52-64)75-25-15-12-22-66(75)67-23-13-16-26-76(67)85/h7-52H,1-6H3
• InChIKey: ZRMAOZGERJRJLD-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.46
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 177287831) is N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6ccccc6c5)cc4)c(-c4ccccc4)c3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2.

What is the InChIKey of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is ZRMAOZGERJRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H64N2/c1-53-28-40-69-71-43-37-62(50-80(71)83(3,4)78(69)46-53)87(63-38-44-72-70-41-29-54(2)47-79(70)84(5,6)81(72)51-63)61-36-42-65(74(49-61)56-19-8-7-9-20-56)57-31-33-59(34-32-57)86(60-35-30-55-18-10-11-21-58(55)48-60)64-39-45-73-68-24-14-17-27-77(68)85(82(73)52-64)75-25-15-12-22-66(75)67-23-13-16-26-76(67)85/h7-52H,1-6H3.

What are the key properties of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?

N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1113.46 g/mol, XLogP of 22.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 177287831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).