N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine

C60H39NO — CID 170133722

IUPACN-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c2)cc1
InChIInChI=1S/C60H39NO/c1-2-13-40(14-3-1)48-36-46-15-4-7-20-52(46)57(37-48)42-27-32-50(33-28-42)61(58-38-47-16-5-6-19-51(47)53-21-8-9-22-54(53)58)49-30-25-41(26-31-49)43-17-12-18-44(35-43)45-29-34-56-55-23-10-11-24-59(55)62-60(56)39-45/h1-39H
InChIKeyGQRQSGLCDBOTCF-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine

N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine (PubChem CID 170133722) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
PubChem CID170133722
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c2)cc1
InChIInChI=1S/C60H39NO/c1-2-13-40(14-3-1)48-36-46-15-4-7-20-52(46)57(37-48)42-27-32-50(33-28-42)61(58-38-47-16-5-6-19-51(47)53-21-8-9-22-54(53)58)49-30-25-41(26-31-49)43-17-12-18-44(35-43)45-29-34-56-55-23-10-11-24-59(55)62-60(56)39-45/h1-39H
InChIKeyGQRQSGLCDBOTCF-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-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 170133889
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170134223
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-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134182
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine (CID 170133722) is N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine is c1ccc(-c2cc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c2)cc1.
What is the InChIKey of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The InChIKey is GQRQSGLCDBOTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-13-40(14-3-1)48-36-46-15-4-7-20-52(46)57(37-48)42-27-32-50(33-28-42)61(58-38-47-16-5-6-19-51(47)53-21-8-9-22-54(53)58)49-30-25-41(26-31-49)43-17-12-18-44(35-43)45-29-34-56-55-23-10-11-24-59(55)62-60(56)39-45/h1-39H.
What are the key properties of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine 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-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170133722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).