N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine

C54H33NOS — CID 155303954

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
SMILESc1ccc2c(-c3c(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc5sc6ccccc6c45)c4ccccc4c4ccccc34)cccc2c1
InChIInChI=1S/C54H33NOS/c1-2-16-37-34(14-1)15-11-24-41(37)52-42-19-5-3-17-39(42)40-18-4-6-20-43(40)54(52)55(46-25-13-29-50-53(46)45-22-8-10-28-49(45)57-50)36-32-30-35(31-33-36)38-23-12-27-48-51(38)44-21-7-9-26-47(44)56-48/h1-33H
InChIKeyCYXGBYYZBNSWPG-UHFFFAOYSA-N
MW743.93 g/mol
LogP16.22
Rot. Bonds5

About N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine (PubChem CID 155303954) has the molecular formula C54H33NOS and a molecular weight of 743.93 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
PubChem CID155303954
Molecular FormulaC54H33NOS
Molecular Weight743.93 g/mol
Exact Mass743.23
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
SMILESc1ccc2c(-c3c(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc5sc6ccccc6c45)c4ccccc4c4ccccc34)cccc2c1
InChIInChI=1S/C54H33NOS/c1-2-16-37-34(14-1)15-11-24-41(37)52-42-19-5-3-17-39(42)40-18-4-6-20-43(40)54(52)55(46-25-13-29-50-53(46)45-22-8-10-28-49(45)57-50)36-32-30-35(31-33-36)38-23-12-27-48-51(38)44-21-7-9-26-47(44)56-48/h1-33H
InChIKeyCYXGBYYZBNSWPG-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-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 170535175
N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304528
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304231
9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine
CID 155305668
N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
CID 155303513
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
CID 170039765
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820966
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine (CID 155303954) is N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine is c1ccc2c(-c3c(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc5sc6ccccc6c45)c4ccccc4c4ccccc34)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine?
The InChIKey is CYXGBYYZBNSWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS/c1-2-16-37-34(14-1)15-11-24-41(37)52-42-19-5-3-17-39(42)40-18-4-6-20-43(40)54(52)55(46-25-13-29-50-53(46)45-22-8-10-28-49(45)57-50)36-32-30-35(31-33-36)38-23-12-27-48-51(38)44-21-7-9-26-47(44)56-48/h1-33H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-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 N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 155303954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).