7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine

C66H43NO — CID 88567948

IUPAC7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-3-11-44(12-4-1)46-19-23-48(24-20-46)50-27-33-54(34-28-50)67(55-35-29-51(30-36-55)49-25-21-47(22-26-49)45-13-5-2-6-14-45)56-37-40-60-59-38-31-52(41-63(59)57-15-7-8-16-58(57)64(60)43-56)53-32-39-62-61-17-9-10-18-65(61)68-66(62)42-53/h1-43H
InChIKeyQZKBOJOTAUKOHU-UHFFFAOYSA-N
MW866.08 g/mol
LogP18.85
Rot. Bonds8

About 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine

7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine (PubChem CID 88567948) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound Name7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
PubChem CID88567948
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC Name7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-3-11-44(12-4-1)46-19-23-48(24-20-46)50-27-33-54(34-28-50)67(55-35-29-51(30-36-55)49-25-21-47(22-26-49)45-13-5-2-6-14-45)56-37-40-60-59-38-31-52(41-63(59)57-15-7-8-16-58(57)64(60)43-56)53-32-39-62-61-17-9-10-18-65(61)68-66(62)42-53/h1-43H
InChIKeyQZKBOJOTAUKOHU-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

3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
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-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine?
The IUPAC name of 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine (CID 88567948) is 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine.
What is the SMILES notation for 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine?
The canonical SMILES for 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine?
The InChIKey is QZKBOJOTAUKOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-3-11-44(12-4-1)46-19-23-48(24-20-46)50-27-33-54(34-28-50)67(55-35-29-51(30-36-55)49-25-21-47(22-26-49)45-13-5-2-6-14-45)56-37-40-60-59-38-31-52(41-63(59)57-15-7-8-16-58(57)64(60)43-56)53-32-39-62-61-17-9-10-18-65(61)68-66(62)42-53/h1-43H.
What are the key properties of 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine?
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]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 7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 88567948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).