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

C102H72N2 — CID 177287726

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

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 177287726) has the molecular formula C102H72N2 and a molecular weight of 1325.71 g/mol. Its IUPAC name is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 177287726
• Molecular Formula: C102H72N2
• Molecular Weight: 1325.71 g/mol
• Exact Mass: 1324.57
• IUPAC Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
• SMILES: Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
• InChI: InChI=1S/C102H72N2/c1-67-44-57-85-87-60-55-80(65-96(87)100(94(85)62-67,73-28-11-5-12-29-73)74-30-13-6-14-31-74)103(81-56-61-88-86-58-45-68(2)63-95(86)101(97(88)66-81,75-32-15-7-16-33-75)76-34-17-8-18-35-76)79-54-59-82(69(3)64-79)72-48-52-78(53-49-72)104(77-50-46-71(47-51-77)70-26-9-4-10-27-70)98-43-25-42-93-99(98)89-38-21-24-41-92(89)102(93)90-39-22-19-36-83(90)84-37-20-23-40-91(84)102/h4-66H,1-3H3
• InChIKey: WFRRGBNOXQYLJH-UHFFFAOYSA-N
• XLogP: 25.96
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.71
LogP ≤ 5	25.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 177287726) is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

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

The canonical SMILES for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2.

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

The InChIKey is WFRRGBNOXQYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H72N2/c1-67-44-57-85-87-60-55-80(65-96(87)100(94(85)62-67,73-28-11-5-12-29-73)74-30-13-6-14-31-74)103(81-56-61-88-86-58-45-68(2)63-95(86)101(97(88)66-81,75-32-15-7-16-33-75)76-34-17-8-18-35-76)79-54-59-82(69(3)64-79)72-48-52-78(53-49-72)104(77-50-46-71(47-51-77)70-26-9-4-10-27-70)98-43-25-42-93-99(98)89-38-21-24-41-92(89)102(93)90-39-22-19-36-83(90)84-37-20-23-40-91(84)102/h4-66H,1-3H3.

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

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1325.71 g/mol, XLogP of 25.96, 12 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-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 177287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).