4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine

C56H37NO — CID 169022363

IUPAC4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
SMILESCC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H37NO/c1-56(50-24-12-9-21-45(50)46-22-10-13-25-51(46)56)54-52(34-33-48-47-23-11-14-26-53(47)58-55(48)54)57(38-29-27-37(28-30-38)36-15-3-2-4-16-36)39-31-32-44-42-19-6-5-17-40(42)41-18-7-8-20-43(41)49(44)35-39/h2-35H,1H3
InChIKeyJYPCSPHRQRJWMJ-UHFFFAOYSA-N
MW739.92 g/mol
LogP15.52
Rot. Bonds5

About 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine

4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine (PubChem CID 169022363) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound Name4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
PubChem CID169022363
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
SMILESCC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H37NO/c1-56(50-24-12-9-21-45(50)46-22-10-13-25-51(46)56)54-52(34-33-48-47-23-11-14-26-53(47)58-55(48)54)57(38-29-27-37(28-30-38)36-15-3-2-4-16-36)39-31-32-44-42-19-6-5-17-40(42)41-18-7-8-20-43(41)49(44)35-39/h2-35H,1H3
InChIKeyJYPCSPHRQRJWMJ-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022297
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022152
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022450
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001

Frequently Asked Questions

What is the IUPAC name of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine?
The IUPAC name of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine (CID 169022363) is 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine.
What is the SMILES notation for 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine?
The canonical SMILES for 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine is CC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine?
The InChIKey is JYPCSPHRQRJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-56(50-24-12-9-21-45(50)46-22-10-13-25-51(46)56)54-52(34-33-48-47-23-11-14-26-53(47)58-55(48)54)57(38-29-27-37(28-30-38)36-15-3-2-4-16-36)39-31-32-44-42-19-6-5-17-40(42)41-18-7-8-20-43(41)49(44)35-39/h2-35H,1H3.
What are the key properties of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine?
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine has a molecular weight of 739.92 g/mol, XLogP of 15.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 169022363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).