N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine

C107H64N2O2 — CID 134555021

About N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine (PubChem CID 134555021) has the molecular formula C107H64N2O2 and a molecular weight of 1409.70 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine
• PubChem CID: 134555021
• Molecular Formula: C107H64N2O2
• Molecular Weight: 1409.70 g/mol
• Exact Mass: 1408.50
• IUPAC Name: N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3oc3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-8)c8ccccc8-c8c7oc7ccccc87)cc65)ccc43)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C107H64N2O2/c1-3-24-65(25-4-1)67-46-50-71(51-47-67)109(72-52-48-66-26-7-8-27-68(66)60-72)73-55-59-94-87(62-73)79-32-11-18-40-90(79)106(94)92-42-20-13-34-83(92)102-86-56-49-69(61-99(86)111-103(102)106)76-37-23-44-95-100(76)82-33-12-19-41-91(82)105(95)88-38-16-9-30-77(88)80-57-53-74(63-96(80)105)108(70-28-5-2-6-29-70)75-54-58-81-78-31-10-17-39-89(78)107(97(81)64-75)93-43-21-14-35-84(93)101-85-36-15-22-45-98(85)110-104(101)107/h1-64H
• InChIKey: HOJYMAADBMODKL-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1409.70
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine?

The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine (CID 134555021) is N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine?

The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3oc3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-8)c8ccccc8-c8c7oc7ccccc87)cc65)ccc43)c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine?

The InChIKey is HOJYMAADBMODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H64N2O2/c1-3-24-65(25-4-1)67-46-50-71(51-47-67)109(72-52-48-66-26-7-8-27-68(66)60-72)73-55-59-94-87(62-73)79-32-11-18-40-90(79)106(94)92-42-20-13-34-83(92)102-86-56-49-69(61-99(86)111-103(102)106)76-37-23-44-95-100(76)82-33-12-19-41-91(82)105(95)88-38-16-9-30-77(88)80-57-53-74(63-96(80)105)108(70-28-5-2-6-29-70)75-54-58-81-78-31-10-17-39-89(78)107(97(81)64-75)93-43-21-14-35-84(93)101-85-36-15-22-45-98(85)110-104(101)107/h1-64H.

What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine?

N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine has a molecular weight of 1409.70 g/mol, XLogP of 27.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine is sourced from PubChem (CID 134555021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).