N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine

C54H35NO — CID 170535097

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C54H35NO/c1-3-15-46-38(10-1)12-8-18-48(46)40-24-22-36(23-25-40)37-28-30-43(31-29-37)55(45-32-33-49-42(35-45)27-26-39-11-2-4-16-47(39)49)44-14-7-13-41(34-44)50-19-9-21-53-54(50)51-17-5-6-20-52(51)56-53/h1-35H
InChIKeySOOXIBXZGVBEAV-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine (PubChem CID 170535097) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
PubChem CID170535097
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C54H35NO/c1-3-15-46-38(10-1)12-8-18-48(46)40-24-22-36(23-25-40)37-28-30-43(31-29-37)55(45-32-33-49-42(35-45)27-26-39-11-2-4-16-47(39)49)44-14-7-13-41(34-44)50-19-9-21-53-54(50)51-17-5-6-20-52(51)56-53/h1-35H
InChIKeySOOXIBXZGVBEAV-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
CID 176810219
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-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810252
3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810427
3-dibenzofuran-1-yl-N-(3-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810276
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 142614686

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine (CID 170535097) is N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is SOOXIBXZGVBEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-15-46-38(10-1)12-8-18-48(46)40-24-22-36(23-25-40)37-28-30-43(31-29-37)55(45-32-33-49-42(35-45)27-26-39-11-2-4-16-47(39)49)44-14-7-13-41(34-44)50-19-9-21-53-54(50)51-17-5-6-20-52(51)56-53/h1-35H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 170535097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).