N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine

C56H35NO2 — CID 155304392

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C56H35NO2/c1-2-16-36(17-3-1)37-18-14-19-38(34-37)54-46-25-6-4-20-40(46)41-21-5-7-26-47(41)55(54)57(39-32-33-45-43-23-9-12-30-51(43)58-53(45)35-39)50-29-11-8-22-42(50)48-27-15-28-49-44-24-10-13-31-52(44)59-56(48)49/h1-35H
InChIKeyIYYTUQIAVCGBBN-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine

N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine (PubChem CID 155304392) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine
PubChem CID155304392
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C56H35NO2/c1-2-16-36(17-3-1)37-18-14-19-38(34-37)54-46-25-6-4-20-40(46)41-21-5-7-26-47(41)55(54)57(39-32-33-45-43-23-9-12-30-51(43)58-53(45)35-39)50-29-11-8-22-42(50)48-27-15-28-49-44-24-10-13-31-52(44)59-56(48)49/h1-35H
InChIKeyIYYTUQIAVCGBBN-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155304327
N-[10-[3-[4-[4-[4-[4-[dibenzofuran-3-yl-[2-[3-[3-[dibenzofuran-4-yl-(10-phenylphenanthren-9-yl)amino]-5-phenylphenyl]phenyl]-10-phenylphenanthren-9-yl]amino]phenyl]phenyl]phenyl]phenyl]phenyl]phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155305128
N-dibenzofuran-4-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;6-phenyl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 157337291
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304965
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155305510
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168791089
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
CID 176763165

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine (CID 155304392) is N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine?
The InChIKey is IYYTUQIAVCGBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-16-36(17-3-1)37-18-14-19-38(34-37)54-46-25-6-4-20-40(46)41-21-5-7-26-47(41)55(54)57(39-32-33-45-43-23-9-12-30-51(43)58-53(45)35-39)50-29-11-8-22-42(50)48-27-15-28-49-44-24-10-13-31-52(44)59-56(48)49/h1-35H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine is sourced from PubChem (CID 155304392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).