4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine

C54H33NOS — CID 176820868

IUPAC4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5ccc6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C54H33NOS/c1-2-13-35(14-3-1)41-21-11-23-44-45-24-12-25-49(54(45)57-53(41)44)55(38-30-29-37-28-27-36-16-5-7-19-40(36)47(37)33-38)48-32-31-43(42-22-10-17-34-15-4-6-18-39(34)42)52-51(48)46-20-8-9-26-50(46)56-52/h1-33H
InChIKeyAIIRNRHDXPWWGG-UHFFFAOYSA-N
MW743.93 g/mol
LogP16.22
Rot. Bonds5

About 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine

4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine (PubChem CID 176820868) has the molecular formula C54H33NOS and a molecular weight of 743.93 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
PubChem CID176820868
Molecular FormulaC54H33NOS
Molecular Weight743.93 g/mol
Exact Mass743.23
IUPAC Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5ccc6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C54H33NOS/c1-2-13-35(14-3-1)41-21-11-23-44-45-24-12-25-49(54(45)57-53(41)44)55(38-30-29-37-28-27-36-16-5-7-19-40(36)47(37)33-38)48-32-31-43(42-22-10-17-34-15-4-6-18-39(34)42)52-51(48)46-20-8-9-26-50(46)56-52/h1-33H
InChIKeyAIIRNRHDXPWWGG-UHFFFAOYSA-N
XLogP16.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.93
LogP ≤ 516.22
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-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176820668
N-phenanthren-3-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820620
N-phenanthren-4-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820512
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine
CID 176820964
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069412
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176821102
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
4-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069748
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397858
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-yl-1-phenyldibenzofuran-4-amine
CID 168809995

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine (CID 176820868) is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc5ccc6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The InChIKey is AIIRNRHDXPWWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS/c1-2-13-35(14-3-1)41-21-11-23-44-45-24-12-25-49(54(45)57-53(41)44)55(38-30-29-37-28-27-36-16-5-7-19-40(36)47(37)33-38)48-32-31-43(42-22-10-17-34-15-4-6-18-39(34)42)52-51(48)46-20-8-9-26-50(46)56-52/h1-33H.
What are the key properties of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine has a molecular weight of 743.93 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176820868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).