3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine

C61H41NO — CID 155214815

IUPAC3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
SMILESC=C/C=C(\C1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C61H41NO/c1-2-18-50(52-28-17-27-51-49-25-12-16-32-57(49)63-59(51)52)58-53-26-11-15-31-56(53)61(54-29-13-9-23-47(54)48-24-10-14-30-55(48)61)60(58)62(45-37-33-43(34-38-45)41-19-5-3-6-20-41)46-39-35-44(36-40-46)42-21-7-4-8-22-42/h2-40H,1H2/b50-18-
InChIKeyQOKLKBXWSBAHKZ-YFSHNDNZSA-N
MW804.00 g/mol
LogP16.07
Rot. Bonds8

About 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine

3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine (PubChem CID 155214815) has the molecular formula C61H41NO and a molecular weight of 804.00 g/mol. Its IUPAC name is 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine.

Molecular Properties

Compound Name3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
PubChem CID155214815
Molecular FormulaC61H41NO
Molecular Weight804.00 g/mol
Exact Mass803.32
IUPAC Name3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
SMILESC=C/C=C(\C1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C61H41NO/c1-2-18-50(52-28-17-27-51-49-25-12-16-32-57(49)63-59(51)52)58-53-26-11-15-31-56(53)61(54-29-13-9-23-47(54)48-24-10-14-30-55(48)61)60(58)62(45-37-33-43(34-38-45)41-19-5-3-6-20-41)46-39-35-44(36-40-46)42-21-7-4-8-22-42/h2-40H,1H2/b50-18-
InChIKeyQOKLKBXWSBAHKZ-YFSHNDNZSA-N
XLogP16.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.00
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
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-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143

Frequently Asked Questions

What is the IUPAC name of 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
The IUPAC name of 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine (CID 155214815) is 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine.
What is the SMILES notation for 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
The canonical SMILES for 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine is C=C/C=C(\C1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12)c1cccc2c1oc1ccccc12.
What is the InChIKey of 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
The InChIKey is QOKLKBXWSBAHKZ-YFSHNDNZSA-N. The full InChI is InChI=1S/C61H41NO/c1-2-18-50(52-28-17-27-51-49-25-12-16-32-57(49)63-59(51)52)58-53-26-11-15-31-56(53)61(54-29-13-9-23-47(54)48-24-10-14-30-55(48)61)60(58)62(45-37-33-43(34-38-45)41-19-5-3-6-20-41)46-39-35-44(36-40-46)42-21-7-4-8-22-42/h2-40H,1H2/b50-18-.
What are the key properties of 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine has a molecular weight of 804.00 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(1E)-1-dibenzofuran-4-ylbuta-1,3-dienyl]-N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine is sourced from PubChem (CID 155214815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).