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

C102H70N2O — CID 177287603

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

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine (PubChem CID 177287603) has the molecular formula C102H70N2O and a molecular weight of 1339.69 g/mol. Its IUPAC name is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
• PubChem CID: 177287603
• Molecular Formula: C102H70N2O
• Molecular Weight: 1339.69 g/mol
• Exact Mass: 1338.55
• IUPAC Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
• SMILES: Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6c5oc5ccccc56)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
• InChI: InChI=1S/C102H70N2O/c1-65-43-53-82-85-56-50-75(62-94(85)100(92(82)59-65,69-25-8-4-9-26-69)70-27-10-5-11-28-70)103(76-51-57-86-83-54-44-66(2)60-93(83)101(95(86)63-76,71-29-12-6-13-30-71)72-31-14-7-15-32-72)74-49-55-78(67(3)61-74)68-45-47-73(48-46-68)104(97-41-24-37-88-87-36-19-23-42-98(87)105-99(88)97)77-52-58-84-81-35-18-22-40-91(81)102(96(84)64-77)89-38-20-16-33-79(89)80-34-17-21-39-90(80)102/h4-64H,1-3H3
• InChIKey: BIVJHHQHKNUUEY-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.69
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine?

The IUPAC name of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine (CID 177287603) is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine.

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

The canonical SMILES for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6c5oc5ccccc56)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-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine?

The InChIKey is BIVJHHQHKNUUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70N2O/c1-65-43-53-82-85-56-50-75(62-94(85)100(92(82)59-65,69-25-8-4-9-26-69)70-27-10-5-11-28-70)103(76-51-57-86-83-54-44-66(2)60-93(83)101(95(86)63-76,71-29-12-6-13-30-71)72-31-14-7-15-32-72)74-49-55-78(67(3)61-74)68-45-47-73(48-46-68)104(97-41-24-37-88-87-36-19-23-42-98(87)105-99(88)97)77-52-58-84-81-35-18-22-40-91(81)102(96(84)64-77)89-38-20-16-33-79(89)80-34-17-21-39-90(80)102/h4-64H,1-3H3.

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

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine has a molecular weight of 1339.69 g/mol, XLogP of 26.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 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-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 177287603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).