N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine

C56H37NO — CID 118214579

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C56H37NO/c1-56(38-13-3-2-4-14-38)52-21-11-9-19-47(52)48-31-29-41(35-53(48)56)57(40-28-30-46-44-17-6-5-15-42(44)43-16-7-8-18-45(43)50(46)34-40)39-26-23-36(24-27-39)37-25-32-55-51(33-37)49-20-10-12-22-54(49)58-55/h2-35H,1H3
InChIKeyQIZWOPKYZLRZOC-UHFFFAOYSA-N
MW739.92 g/mol
LogP15.52
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine (PubChem CID 118214579) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
PubChem CID118214579
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C56H37NO/c1-56(38-13-3-2-4-14-38)52-21-11-9-19-47(52)48-31-29-41(35-53(48)56)57(40-28-30-46-44-17-6-5-15-42(44)43-16-7-8-18-45(43)50(46)34-40)39-26-23-36(24-27-39)37-25-32-55-51(33-37)49-20-10-12-22-54(49)58-55/h2-35H,1H3
InChIKeyQIZWOPKYZLRZOC-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'}

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Related Compounds

N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-(3-dibenzofuran-2-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453554
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 121400570
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119205
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122493607
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 171453603

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine (CID 118214579) is N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine?
The InChIKey is QIZWOPKYZLRZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-56(38-13-3-2-4-14-38)52-21-11-9-19-47(52)48-31-29-41(35-53(48)56)57(40-28-30-46-44-17-6-5-15-42(44)43-16-7-8-18-45(43)50(46)34-40)39-26-23-36(24-27-39)37-25-32-55-51(33-37)49-20-10-12-22-54(49)58-55/h2-35H,1H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-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 N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine is sourced from PubChem (CID 118214579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).