N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C96H60N8 — CID 88592231

IUPACN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc5ccccc5nc4-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C96H60N8/c1-3-21-65(22-4-1)103(67-43-37-61(38-44-67)89-59-101-53-19-17-35-91(101)97-89)69-47-51-77-75-49-41-63(55-83(75)95(85(77)57-69)79-29-11-7-25-71(79)72-26-8-12-30-80(72)95)93-94(100-88-34-16-15-33-87(88)99-93)64-42-50-76-78-52-48-70(58-86(78)96(84(76)56-64)81-31-13-9-27-73(81)74-28-10-14-32-82(74)96)104(66-23-5-2-6-24-66)68-45-39-62(40-46-68)90-60-102-54-20-18-36-92(102)98-90/h1-60H
InChIKeyKQMMXCVQUIGVIZ-UHFFFAOYSA-N
MW1325.59 g/mol
LogP23.22
Rot. Bonds10

About N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 88592231) has the molecular formula C96H60N8 and a molecular weight of 1325.59 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID88592231
Molecular FormulaC96H60N8
Molecular Weight1325.59 g/mol
Exact Mass1324.49
IUPAC NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc5ccccc5nc4-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C96H60N8/c1-3-21-65(22-4-1)103(67-43-37-61(38-44-67)89-59-101-53-19-17-35-91(101)97-89)69-47-51-77-75-49-41-63(55-83(75)95(85(77)57-69)79-29-11-7-25-71(79)72-26-8-12-30-80(72)95)93-94(100-88-34-16-15-33-87(88)99-93)64-42-50-76-78-52-48-70(58-86(78)96(84(76)56-64)81-31-13-9-27-73(81)74-28-10-14-32-82(74)96)104(66-23-5-2-6-24-66)68-45-39-62(40-46-68)90-60-102-54-20-18-36-92(102)98-90/h1-60H
InChIKeyKQMMXCVQUIGVIZ-UHFFFAOYSA-N
XLogP23.22
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.59
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 88592231) is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc5ccccc5nc4-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)ccc4-5)ccc2-3)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is KQMMXCVQUIGVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N8/c1-3-21-65(22-4-1)103(67-43-37-61(38-44-67)89-59-101-53-19-17-35-91(101)97-89)69-47-51-77-75-49-41-63(55-83(75)95(85(77)57-69)79-29-11-7-25-71(79)72-26-8-12-30-80(72)95)93-94(100-88-34-16-15-33-87(88)99-93)64-42-50-76-78-52-48-70(58-86(78)96(84(76)56-64)81-31-13-9-27-73(81)74-28-10-14-32-82(74)96)104(66-23-5-2-6-24-66)68-45-39-62(40-46-68)90-60-102-54-20-18-36-92(102)98-90/h1-60H.
What are the key properties of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1325.59 g/mol, XLogP of 23.22, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7'-[3-[7'-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]quinoxalin-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 88592231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).