N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine

C54H35NO — CID 118214562

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)40-31-41(37-15-5-2-6-16-37)33-44(32-40)55(43-28-29-49-47-19-8-7-17-45(47)46-18-9-10-20-48(46)51(49)35-43)42-26-23-38(24-27-42)39-25-30-54-52(34-39)50-21-11-12-22-53(50)56-54/h1-35H
InChIKeyGYTCHHPJZIFARZ-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine (PubChem CID 118214562) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
PubChem CID118214562
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)40-31-41(37-15-5-2-6-16-37)33-44(32-40)55(43-28-29-49-47-19-8-7-17-45(47)46-18-9-10-20-48(46)51(49)35-43)42-26-23-38(24-27-42)39-25-30-54-52(34-39)50-21-11-12-22-53(50)56-54/h1-35H
InChIKeyGYTCHHPJZIFARZ-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
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-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
CID 121449955
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine (CID 118214562) is N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine?
The InChIKey is GYTCHHPJZIFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-13-36(14-4-1)40-31-41(37-15-5-2-6-16-37)33-44(32-40)55(43-28-29-49-47-19-8-7-17-45(47)46-18-9-10-20-48(46)51(49)35-43)42-26-23-38(24-27-42)39-25-30-54-52(34-39)50-21-11-12-22-53(50)56-54/h1-35H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 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-(3,5-diphenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 118214562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).