N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine

C58H37NO — CID 170134279

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc2c(-c3ccc4ccccc4c3-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cc5ccccc5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C58H37NO/c1-4-17-45-38(13-1)16-11-24-50(45)52-36-31-39-14-2-6-19-47(39)57(52)41-29-34-44(35-30-41)59(54-37-42-15-3-5-18-46(42)49-20-7-8-21-51(49)54)43-32-27-40(28-33-43)48-23-12-26-56-58(48)53-22-9-10-25-55(53)60-56/h1-37H
InChIKeySZPHFPDFKABXHX-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine (PubChem CID 170134279) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
PubChem CID170134279
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc2c(-c3ccc4ccccc4c3-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cc5ccccc5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C58H37NO/c1-4-17-45-38(13-1)16-11-24-50(45)52-36-31-39-14-2-6-19-47(39)57(52)41-29-34-44(35-30-41)59(54-37-42-15-3-5-18-46(42)49-20-7-8-21-51(49)54)43-32-27-40(28-33-43)48-23-12-26-56-58(48)53-22-9-10-25-55(53)60-56/h1-37H
InChIKeySZPHFPDFKABXHX-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-dibenzofuran-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 170535069
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134327
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 170134082
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenanthren-2-ylaniline
CID 170541993

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine (CID 170134279) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine is c1ccc2c(-c3ccc4ccccc4c3-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cc5ccccc5c5ccccc45)cc3)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The InChIKey is SZPHFPDFKABXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-4-17-45-38(13-1)16-11-24-50(45)52-36-31-39-14-2-6-19-47(39)57(52)41-29-34-44(35-30-41)59(54-37-42-15-3-5-18-46(42)49-20-7-8-21-51(49)54)43-32-27-40(28-33-43)48-23-12-26-56-58(48)53-22-9-10-25-55(53)60-56/h1-37H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-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-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170134279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).