N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine

C58H41NO — CID 145242732

IUPACN-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
SMILESC/C=C\C1=C(CC)c2ccccc2C12c1ccccc1-c1c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cccc12
InChIInChI=1S/C58H41NO/c1-3-15-50-42(4-2)46-18-7-10-23-51(46)58(50)52-24-11-8-20-49(52)56-53(58)25-14-26-54(56)59(41-34-35-44-39(36-41)29-28-37-16-5-6-17-43(37)44)40-32-30-38(31-33-40)45-21-13-22-48-47-19-9-12-27-55(47)60-57(45)48/h3,5-36H,4H2,1-2H3/b15-3-
InChIKeyUIHZLDVGBNETDY-CQPUUCJISA-N
MW767.97 g/mol
LogP16.10
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine

N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine (PubChem CID 145242732) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
PubChem CID145242732
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
SMILESC/C=C\C1=C(CC)c2ccccc2C12c1ccccc1-c1c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cccc12
InChIInChI=1S/C58H41NO/c1-3-15-50-42(4-2)46-18-7-10-23-51(46)58(50)52-24-11-8-20-49(52)56-53(58)25-14-26-54(56)59(41-34-35-44-39(36-41)29-28-37-16-5-6-17-43(37)44)40-32-30-38(31-33-40)45-21-13-22-48-47-19-9-12-27-55(47)60-57(45)48/h3,5-36H,4H2,1-2H3/b15-3-
InChIKeyUIHZLDVGBNETDY-CQPUUCJISA-N
XLogP16.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
N-(4-dibenzofuran-4-ylphenyl)-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-4-yl]-9,9'-spirobi[fluorene]-2-amine
CID 167119017
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine (CID 145242732) is N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine is C/C=C\C1=C(CC)c2ccccc2C12c1ccccc1-c1c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cccc12.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
The InChIKey is UIHZLDVGBNETDY-CQPUUCJISA-N. The full InChI is InChI=1S/C58H41NO/c1-3-15-50-42(4-2)46-18-7-10-23-51(46)58(50)52-24-11-8-20-49(52)56-53(58)25-14-26-54(56)59(41-34-35-44-39(36-41)29-28-37-16-5-6-17-43(37)44)40-32-30-38(31-33-40)45-21-13-22-48-47-19-9-12-27-55(47)60-57(45)48/h3,5-36H,4H2,1-2H3/b15-3-.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine has a molecular weight of 767.97 g/mol, XLogP of 16.10, 6 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)-3'-ethyl-N-phenanthren-2-yl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine is sourced from PubChem (CID 145242732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).