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

C64H41NO — CID 170134182

IUPACN-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cc(-c5cccc6ccccc56)c5ccccc5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C64H41NO/c1-4-20-52-44(14-1)17-12-27-57(52)61-40-49(39-46-15-2-6-22-54(46)61)43-32-36-51(37-33-43)65(62-41-48-16-3-5-21-53(48)56-23-7-8-24-58(56)62)50-34-30-42(31-35-50)45-18-11-19-47(38-45)55-26-13-28-60-59-25-9-10-29-63(59)66-64(55)60/h1-41H
InChIKeyPFWZVUGDWSTCKR-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

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

N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine (PubChem CID 170134182) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
PubChem CID170134182
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cc(-c5cccc6ccccc56)c5ccccc5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C64H41NO/c1-4-20-52-44(14-1)17-12-27-57(52)61-40-49(39-46-15-2-6-22-54(46)61)43-32-36-51(37-33-43)65(62-41-48-16-3-5-21-53(48)56-23-7-8-24-58(56)62)50-34-30-42(31-35-50)45-18-11-19-47(38-45)55-26-13-28-60-59-25-9-10-29-63(59)66-64(55)60/h1-41H
InChIKeyPFWZVUGDWSTCKR-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
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-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170134223
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 170133889
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-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170133722
N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 158598574
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine (CID 170134182) is N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine is c1cc(-c2ccc(N(c3ccc(-c4cc(-c5cccc6ccccc56)c5ccccc5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The InChIKey is PFWZVUGDWSTCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-4-20-52-44(14-1)17-12-27-57(52)61-40-49(39-46-15-2-6-22-54(46)61)43-32-36-51(37-33-43)65(62-41-48-16-3-5-21-53(48)56-23-7-8-24-58(56)62)50-34-30-42(31-35-50)45-18-11-19-47(38-45)55-26-13-28-60-59-25-9-10-29-63(59)66-64(55)60/h1-41H.
What are the key properties of N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine has a molecular weight of 840.04 g/mol, XLogP of 18.34, 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-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170134182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).