3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline

C60H39NO — CID 170535007

IUPAC3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-2-15-42(16-3-1)58-53-22-8-6-20-51(53)52-21-7-9-23-54(52)59(58)43-32-36-48(37-33-43)61(47-34-30-41(31-35-47)45-29-28-40-14-4-5-17-44(40)38-45)49-19-12-18-46(39-49)50-25-13-27-57-60(50)55-24-10-11-26-56(55)62-57/h1-39H
InChIKeyBWQNMWCLCXOESF-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline

3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline (PubChem CID 170535007) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
PubChem CID170535007
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC Name3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-2-15-42(16-3-1)58-53-22-8-6-20-51(53)52-21-7-9-23-54(52)59(58)43-32-36-48(37-33-43)61(47-34-30-41(31-35-47)45-29-28-40-14-4-5-17-44(40)38-45)49-19-12-18-46(39-49)50-25-13-27-57-60(50)55-24-10-11-26-56(55)62-57/h1-39H
InChIKeyBWQNMWCLCXOESF-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535413
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(4-phenanthren-1-ylphenyl)aniline
CID 176810245
N-(3-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 176810248
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
N-(4-dibenzofuran-1-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169063199
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810727
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810252
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline (CID 170535007) is 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
The InChIKey is BWQNMWCLCXOESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-15-42(16-3-1)58-53-22-8-6-20-51(53)52-21-7-9-23-54(52)59(58)43-32-36-48(37-33-43)61(47-34-30-41(31-35-47)45-29-28-40-14-4-5-17-44(40)38-45)49-19-12-18-46(39-49)50-25-13-27-57-60(50)55-24-10-11-26-56(55)62-57/h1-39H.
What are the key properties of 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline is sourced from PubChem (CID 170535007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).