N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine

C82H51NO — CID 121444459

IUPACN-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
SMILESCc1ccccc1C1(c2ccccc2)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cccc21
InChIInChI=1S/C82H51NO/c1-50-24-5-13-34-60(50)80(51-25-3-2-4-26-51)63-37-16-8-30-56(63)75-67(80)41-21-44-71(75)83(72-45-22-42-68-76(72)57-31-9-17-38-64(57)81(68)61-35-14-6-27-52(61)53-28-7-15-36-62(53)81)73-46-23-43-69-77(73)58-32-10-18-39-65(58)82(69)66-40-19-11-33-59(66)78-70(82)49-48-55-54-29-12-20-47-74(54)84-79(55)78/h2-49H,1H3
InChIKeyALXWFVPYABUWOB-UHFFFAOYSA-N
MW1066.32 g/mol
LogP20.41
Rot. Bonds5

About N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine

N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine (PubChem CID 121444459) has the molecular formula C82H51NO and a molecular weight of 1066.32 g/mol. Its IUPAC name is N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine.

Molecular Properties

Compound NameN-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
PubChem CID121444459
Molecular FormulaC82H51NO
Molecular Weight1066.32 g/mol
Exact Mass1065.40
IUPAC NameN-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
SMILESCc1ccccc1C1(c2ccccc2)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cccc21
InChIInChI=1S/C82H51NO/c1-50-24-5-13-34-60(50)80(51-25-3-2-4-26-51)63-37-16-8-30-56(63)75-67(80)41-21-44-71(75)83(72-45-22-42-68-76(72)57-31-9-17-38-64(57)81(68)61-35-14-6-27-52(61)53-28-7-15-36-62(53)81)73-46-23-43-69-77(73)58-32-10-18-39-65(58)82(69)66-40-19-11-33-59(66)78-70(82)49-48-55-54-29-12-20-47-74(54)84-79(55)78/h2-49H,1H3
InChIKeyALXWFVPYABUWOB-UHFFFAOYSA-N
XLogP20.41
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.32
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 121381379
N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine
CID 146333018
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817

Frequently Asked Questions

What is the IUPAC name of N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?
The IUPAC name of N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine (CID 121444459) is N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine.
What is the SMILES notation for N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?
The canonical SMILES for N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine is Cc1ccccc1C1(c2ccccc2)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cccc21.
What is the InChIKey of N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?
The InChIKey is ALXWFVPYABUWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H51NO/c1-50-24-5-13-34-60(50)80(51-25-3-2-4-26-51)63-37-16-8-30-56(63)75-67(80)41-21-44-71(75)83(72-45-22-42-68-76(72)57-31-9-17-38-64(57)81(68)61-35-14-6-27-52(61)53-28-7-15-36-62(53)81)73-46-23-43-69-77(73)58-32-10-18-39-65(58)82(69)66-40-19-11-33-59(66)78-70(82)49-48-55-54-29-12-20-47-74(54)84-79(55)78/h2-49H,1H3.
What are the key properties of N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine?
N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine has a molecular weight of 1066.32 g/mol, XLogP of 20.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine is sourced from PubChem (CID 121444459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).