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

C54H33NS2 — CID 176820964

IUPAC4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5ccc6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)c5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C54H33NS2/c1-2-13-35(14-3-1)41-21-11-23-43-44-24-12-25-49(53(44)57-52(41)43)55(38-30-29-37-28-27-36-16-5-7-19-40(36)47(37)33-38)48-32-31-45(42-22-10-17-34-15-4-6-18-39(34)42)54-51(48)46-20-8-9-26-50(46)56-54/h1-33H
InChIKeyCLZHJOZBAOGYBK-UHFFFAOYSA-N
MW760.00 g/mol
LogP16.69
Rot. Bonds5

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

4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine (PubChem CID 176820964) has the molecular formula C54H33NS2 and a molecular weight of 760.00 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine
PubChem CID176820964
Molecular FormulaC54H33NS2
Molecular Weight760.00 g/mol
Exact Mass759.21
IUPAC Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5ccc6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)c5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C54H33NS2/c1-2-13-35(14-3-1)41-21-11-23-43-44-24-12-25-49(53(44)57-52(41)43)55(38-30-29-37-28-27-36-16-5-7-19-40(36)47(37)33-38)48-32-31-45(42-22-10-17-34-15-4-6-18-39(34)42)54-51(48)46-20-8-9-26-50(46)56-54/h1-33H
InChIKeyCLZHJOZBAOGYBK-UHFFFAOYSA-N
XLogP16.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.00
LogP ≤ 516.69
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,N-di(phenanthren-3-yl)-4-phenyldibenzothiophen-1-amine
CID 176821444
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 176820868
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176820668
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397609
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809661
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine (CID 176820964) is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc5ccc6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)c5sc6ccccc6c45)cccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine?
The InChIKey is CLZHJOZBAOGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NS2/c1-2-13-35(14-3-1)41-21-11-23-43-44-24-12-25-49(53(44)57-52(41)43)55(38-30-29-37-28-27-36-16-5-7-19-40(36)47(37)33-38)48-32-31-45(42-22-10-17-34-15-4-6-18-39(34)42)54-51(48)46-20-8-9-26-50(46)56-54/h1-33H.
What are the key properties of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine?
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzothiophen-1-amine has a molecular weight of 760.00 g/mol, XLogP of 16.69, 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)dibenzothiophen-1-amine is sourced from PubChem (CID 176820964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).