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

C102H70N2S — CID 177287675

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

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (PubChem CID 177287675) has the molecular formula C102H70N2S and a molecular weight of 1355.76 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)dibenzothiophen-2-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)dibenzothiophen-2-amine
• PubChem CID: 177287675
• Molecular Formula: C102H70N2S
• Molecular Weight: 1355.76 g/mol
• Exact Mass: 1354.53
• IUPAC Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
• SMILES: Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6sc7ccccc7c6c5)cc4)c(C)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
• InChI: InChI=1S/C102H70N2S/c1-65-40-51-83-86-55-48-77(62-95(86)100(93(83)58-65,69-24-8-4-9-25-69)70-26-10-5-11-27-70)104(78-49-56-87-84-52-41-66(2)59-94(84)101(96(87)63-78,71-28-12-6-13-29-71)72-30-14-7-15-31-72)74-46-53-79(67(3)60-74)68-42-44-73(45-43-68)103(75-50-57-99-89(61-75)88-35-19-23-39-98(88)105-99)76-47-54-85-82-34-18-22-38-92(82)102(97(85)64-76)90-36-20-16-32-80(90)81-33-17-21-37-91(81)102/h4-64H,1-3H3
• InChIKey: OKOSDFQFPPBSKQ-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1355.76
LogP ≤ 5	26.66
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)dibenzothiophen-2-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)dibenzothiophen-2-amine (CID 177287675) is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-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)dibenzothiophen-2-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)dibenzothiophen-2-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6sc7ccccc7c6c5)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)dibenzothiophen-2-amine?

The InChIKey is OKOSDFQFPPBSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70N2S/c1-65-40-51-83-86-55-48-77(62-95(86)100(93(83)58-65,69-24-8-4-9-25-69)70-26-10-5-11-27-70)104(78-49-56-87-84-52-41-66(2)59-94(84)101(96(87)63-78,71-28-12-6-13-29-71)72-30-14-7-15-31-72)74-46-53-79(67(3)60-74)68-42-44-73(45-43-68)103(75-50-57-99-89(61-75)88-35-19-23-39-98(88)105-99)76-47-54-85-82-34-18-22-38-92(82)102(97(85)64-76)90-36-20-16-32-80(90)81-33-17-21-37-91(81)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)dibenzothiophen-2-amine?

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine has a molecular weight of 1355.76 g/mol, XLogP of 26.66, 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)dibenzothiophen-2-amine is sourced from PubChem (CID 177287675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).