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

C58H37NO — CID 176810507

IUPACN-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5c4ccc4ccccc45)cc3)cc2)c2cccc3oc4ccccc4c23)c(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C58H37NO/c1-3-14-44-40(12-1)32-36-50-46(18-9-19-47(44)50)42-28-26-38(27-29-42)39-30-34-43(35-31-39)59(55-23-11-25-57-58(55)53-17-6-8-24-56(53)60-57)54-22-7-5-16-52(54)49-21-10-20-48-45-15-4-2-13-41(45)33-37-51(48)49/h1-37H
InChIKeyIKMLTSAWQHTDJV-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

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

N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 176810507) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID176810507
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5c4ccc4ccccc45)cc3)cc2)c2cccc3oc4ccccc4c23)c(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C58H37NO/c1-3-14-44-40(12-1)32-36-50-46(18-9-19-47(44)50)42-28-26-38(27-29-42)39-30-34-43(35-31-39)59(55-23-11-25-57-58(55)53-17-6-8-24-56(53)60-57)54-22-7-5-16-52(54)49-21-10-20-48-45-15-4-2-13-41(45)33-37-51(48)49/h1-37H
InChIKeyIKMLTSAWQHTDJV-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.67
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-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810675
N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810557
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234406
N-(2-naphthalen-1-ylphenyl)-N-[2-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810444

Frequently Asked Questions

What is the IUPAC name of N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine (CID 176810507) is N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc(-c4cccc5c4ccc4ccccc45)cc3)cc2)c2cccc3oc4ccccc4c23)c(-c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is IKMLTSAWQHTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-14-44-40(12-1)32-36-50-46(18-9-19-47(44)50)42-28-26-38(27-29-42)39-30-34-43(35-31-39)59(55-23-11-25-57-58(55)53-17-6-8-24-56(53)60-57)54-22-7-5-16-52(54)49-21-10-20-48-45-15-4-2-13-41(45)33-37-51(48)49/h1-37H.
What are the key properties of N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine?
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 763.94 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176810507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).