N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline

C74H47NO — CID 130380212

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6c5ccc5c6Cc6ccccc6-5)c4)cc3)cc2)cc1
InChIInChI=1S/C74H47NO/c1-2-15-47(16-3-1)48-31-33-49(34-32-48)50-35-39-54(40-36-50)75(55-41-37-51(38-42-55)59-25-14-27-64-62-22-8-11-30-70(62)76-73(59)64)56-19-12-18-52(45-56)58-24-13-26-63-61-21-6-9-28-67(61)74(72(58)63)68-29-10-7-23-65(68)71-66-46-53-17-4-5-20-57(53)60(66)43-44-69(71)74/h1-45H,46H2
InChIKeyDTJGAMZIWMXPMH-UHFFFAOYSA-N
MW966.20 g/mol
LogP19.64
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline (PubChem CID 130380212) has the molecular formula C74H47NO and a molecular weight of 966.20 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline
PubChem CID130380212
Molecular FormulaC74H47NO
Molecular Weight966.20 g/mol
Exact Mass965.37
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6c5ccc5c6Cc6ccccc6-5)c4)cc3)cc2)cc1
InChIInChI=1S/C74H47NO/c1-2-15-47(16-3-1)48-31-33-49(34-32-48)50-35-39-54(40-36-50)75(55-41-37-51(38-42-55)59-25-14-27-64-62-22-8-11-30-70(62)76-73(59)64)56-19-12-18-52(45-56)58-24-13-26-63-61-21-6-9-28-67(61)74(72(58)63)68-29-10-7-23-65(68)71-66-46-53-17-4-5-20-57(53)60(66)43-44-69(71)74/h1-45H,46H2
InChIKeyDTJGAMZIWMXPMH-UHFFFAOYSA-N
XLogP19.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.20
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine
CID 130380116
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline (CID 130380212) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6c5ccc5c6Cc6ccccc6-5)c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline?
The InChIKey is DTJGAMZIWMXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NO/c1-2-15-47(16-3-1)48-31-33-49(34-32-48)50-35-39-54(40-36-50)75(55-41-37-51(38-42-55)59-25-14-27-64-62-22-8-11-30-70(62)76-73(59)64)56-19-12-18-52(45-56)58-24-13-26-63-61-21-6-9-28-67(61)74(72(58)63)68-29-10-7-23-65(68)71-66-46-53-17-4-5-20-57(53)60(66)43-44-69(71)74/h1-45H,46H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline has a molecular weight of 966.20 g/mol, XLogP of 19.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline is sourced from PubChem (CID 130380212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).