N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline

C60H39NO — CID 176810443

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C60H39NO/c1-3-15-48-42(12-1)14-9-19-49(48)44-28-26-40(27-29-44)41-30-35-46(36-31-41)61(47-37-32-45(33-38-47)51-20-11-25-59-60(51)56-18-6-8-24-58(56)62-59)57-23-7-5-17-55(57)53-22-10-21-52-50-16-4-2-13-43(50)34-39-54(52)53/h1-39H
InChIKeyGRBMKGJKHOJEQM-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline (PubChem CID 176810443) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
PubChem CID176810443
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C60H39NO/c1-3-15-48-42(12-1)14-9-19-49(48)44-28-26-40(27-29-44)41-30-35-46(36-31-41)61(47-37-32-45(33-38-47)51-20-11-25-59-60(51)56-18-6-8-24-58(56)62-59)57-23-7-5-17-55(57)53-22-10-21-52-50-16-4-2-13-43(50)34-39-54(52)53/h1-39H
InChIKeyGRBMKGJKHOJEQM-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

N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810675
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810686
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810230
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenanthren-2-ylaniline
CID 170541993
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810481
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline (CID 176810443) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline is c1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline?
The InChIKey is GRBMKGJKHOJEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-15-48-42(12-1)14-9-19-49(48)44-28-26-40(27-29-44)41-30-35-46(36-31-41)61(47-37-32-45(33-38-47)51-20-11-25-59-60(51)56-18-6-8-24-58(56)62-59)57-23-7-5-17-55(57)53-22-10-21-52-50-16-4-2-13-43(50)34-39-54(52)53/h1-39H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline 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 N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline is sourced from PubChem (CID 176810443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).