N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine

C60H39NO — CID 170134121

IUPACN-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-2-15-43(16-3-1)59-50-21-7-4-14-41(50)32-37-51(59)42-30-35-48(36-31-42)61(57-39-46-17-5-6-20-49(46)53-22-8-9-23-54(53)57)47-33-28-40(29-34-47)44-18-12-19-45(38-44)52-25-13-26-56-55-24-10-11-27-58(55)62-60(52)56/h1-39H
InChIKeyGVQFIWRXGBPPTJ-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine

N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine (PubChem CID 170134121) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
PubChem CID170134121
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-2-15-43(16-3-1)59-50-21-7-4-14-41(50)32-37-51(59)42-30-35-48(36-31-42)61(57-39-46-17-5-6-20-49(46)53-22-8-9-23-54(53)57)47-33-28-40(29-34-47)44-18-12-19-45(38-44)52-25-13-26-56-55-24-10-11-27-58(55)62-60(52)56/h1-39H
InChIKeyGVQFIWRXGBPPTJ-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-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 170134082
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-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134182
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167235395
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134327

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine (CID 170134121) is N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc3ccccc23)cc1.
What is the InChIKey of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The InChIKey is GVQFIWRXGBPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-15-43(16-3-1)59-50-21-7-4-14-41(50)32-37-51(59)42-30-35-48(36-31-42)61(57-39-46-17-5-6-20-49(46)53-22-8-9-23-54(53)57)47-33-28-40(29-34-47)44-18-12-19-45(38-44)52-25-13-26-56-55-24-10-11-27-58(55)62-60(52)56/h1-39H.
What are the key properties of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-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-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170134121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).