N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

C66H43NO — CID 121296513

IUPACN-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-3-14-44(15-4-1)46-32-36-52(37-33-46)67(54-40-41-61-59-22-8-7-20-57(59)58-21-9-10-23-60(58)64(61)43-54)53-38-34-47(35-39-53)45-28-30-48(31-29-45)50-18-11-19-51(42-50)56-25-13-27-63-62-26-12-24-55(65(62)68-66(56)63)49-16-5-2-6-17-49/h1-43H
InChIKeyYVSOGQKLMBWVQE-UHFFFAOYSA-N
MW866.08 g/mol
LogP18.85
Rot. Bonds8

About N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 121296513) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID121296513
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC NameN-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-3-14-44(15-4-1)46-32-36-52(37-33-46)67(54-40-41-61-59-22-8-7-20-57(59)58-21-9-10-23-60(58)64(61)43-54)53-38-34-47(35-39-53)45-28-30-48(31-29-45)50-18-11-19-51(42-50)56-25-13-27-63-62-26-12-24-55(65(62)68-66(56)63)49-16-5-2-6-17-49/h1-43H
InChIKeyYVSOGQKLMBWVQE-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 518.85
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

4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 158598574
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]dibenzofuran-4-yl]aniline;4-methyl-N-[4-[6-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-methylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[6-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline
CID 158337662
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (CID 121296513) is N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is YVSOGQKLMBWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-3-14-44(15-4-1)46-32-36-52(37-33-46)67(54-40-41-61-59-22-8-7-20-57(59)58-21-9-10-23-60(58)64(61)43-54)53-38-34-47(35-39-53)45-28-30-48(31-29-45)50-18-11-19-51(42-50)56-25-13-27-63-62-26-12-24-55(65(62)68-66(56)63)49-16-5-2-6-17-49/h1-43H.
What are the key properties of N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 866.08 g/mol, XLogP of 18.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 121296513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).