N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine

C73H46N2OS — CID 164934267

About N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine (PubChem CID 164934267) has the molecular formula C73H46N2OS and a molecular weight of 999.25 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine
• PubChem CID: 164934267
• Molecular Formula: C73H46N2OS
• Molecular Weight: 999.25 g/mol
• Exact Mass: 998.33
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(-c4cccc5c4sc4ccc(N(c6ccccc6)c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc45)cccc32)cc1
• InChI: InChI=1S/C73H46N2OS/c1-4-18-49(19-5-1)74(50-20-6-2-7-21-50)54-39-41-56-55-24-10-13-30-64(55)73(67(56)46-54)65-31-14-11-26-61(65)71-58(27-17-32-66(71)73)59-28-16-29-60-63-45-53(40-43-70(63)77-72(59)60)75(51-22-8-3-9-23-51)52-37-34-47(35-38-52)48-36-42-69-62(44-48)57-25-12-15-33-68(57)76-69/h1-46H
• InChIKey: DCRCZWAGZOWQGX-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 19.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.25
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine (CID 164934267) is N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(-c4cccc5c4sc4ccc(N(c6ccccc6)c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc45)cccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine?

The InChIKey is DCRCZWAGZOWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2OS/c1-4-18-49(19-5-1)74(50-20-6-2-7-21-50)54-39-41-56-55-24-10-13-30-64(55)73(67(56)46-54)65-31-14-11-26-61(65)71-58(27-17-32-66(71)73)59-28-16-29-60-63-45-53(40-43-70(63)77-72(59)60)75(51-22-8-3-9-23-51)52-37-34-47(35-38-52)48-36-42-69-62(44-48)57-25-12-15-33-68(57)76-69/h1-46H.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine?

N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine has a molecular weight of 999.25 g/mol, XLogP of 20.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine is sourced from PubChem (CID 164934267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).