N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine

C58H37NO — CID 167234406

IUPACN-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C58H37NO/c1-2-12-39(13-3-1)50-34-30-44(48-19-10-20-51-47-17-7-5-15-41(47)28-35-52(48)51)37-55(50)59(54-21-11-23-57-58(54)53-18-8-9-22-56(53)60-57)45-31-26-38(27-32-45)42-29-33-49-43(36-42)25-24-40-14-4-6-16-46(40)49/h1-37H
InChIKeyFCYCAXLHCPPPQI-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine

N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167234406) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
PubChem CID167234406
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C58H37NO/c1-2-12-39(13-3-1)50-34-30-44(48-19-10-20-51-47-17-7-5-15-41(47)28-35-52(48)51)37-55(50)59(54-21-11-23-57-58(54)53-18-8-9-22-56(53)60-57)45-31-26-38(27-32-45)42-29-33-49-43(36-42)25-24-40-14-4-6-16-46(40)49/h1-37H
InChIKeyFCYCAXLHCPPPQI-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-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234637
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
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)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167235443
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine (CID 167234406) is N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is FCYCAXLHCPPPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-2-12-39(13-3-1)50-34-30-44(48-19-10-20-51-47-17-7-5-15-41(47)28-35-52(48)51)37-55(50)59(54-21-11-23-57-58(54)53-18-8-9-22-56(53)60-57)45-31-26-38(27-32-45)42-29-33-49-43(36-42)25-24-40-14-4-6-16-46(40)49/h1-37H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)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-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167234406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).