N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine

C54H33NOS — CID 155303513

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C54H33NOS/c1-2-17-36-34(15-1)16-13-25-42(36)52-43-23-5-3-18-37(43)38-19-4-6-24-44(38)53(52)55(35-31-32-50-47(33-35)40-21-8-11-29-49(40)56-50)48-28-10-7-20-39(48)45-26-14-27-46-41-22-9-12-30-51(41)57-54(45)46/h1-33H
InChIKeyMKQJAHXVUWBYGH-UHFFFAOYSA-N
MW743.93 g/mol
LogP16.22
Rot. Bonds5

About N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine (PubChem CID 155303513) has the molecular formula C54H33NOS and a molecular weight of 743.93 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
PubChem CID155303513
Molecular FormulaC54H33NOS
Molecular Weight743.93 g/mol
Exact Mass743.23
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C54H33NOS/c1-2-17-36-34(15-1)16-13-25-42(36)52-43-23-5-3-18-37(43)38-19-4-6-24-44(38)53(52)55(35-31-32-50-47(33-35)40-21-8-11-29-49(40)56-50)48-28-10-7-20-39(48)45-26-14-27-46-41-22-9-12-30-51(41)57-54(45)46/h1-33H
InChIKeyMKQJAHXVUWBYGH-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-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304528
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
CID 155303954
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 156522448
N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155304619
N-dibenzofuran-1-yl-N-(3-naphtho[1,2-b][1]benzothiol-7-yltriphenylen-2-yl)dibenzofuran-2-amine
CID 177294752
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-[4-[4-(N-dibenzofuran-2-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-2-amine;N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine;N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-yl-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)dibenzofuran-4-amine;2-dibenzothiophen-4-yl-N-[4-[4-(N-(2-dibenzothiophen-4-yl-6-methylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-naphthalen-1-ylphenyl)aniline;N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(N-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-1-ylphenyl)aniline
CID 160808469
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-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine (CID 155303513) is N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
The InChIKey is MKQJAHXVUWBYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS/c1-2-17-36-34(15-1)16-13-25-42(36)52-43-23-5-3-18-37(43)38-19-4-6-24-44(38)53(52)55(35-31-32-50-47(33-35)40-21-8-11-29-49(40)56-50)48-28-10-7-20-39(48)45-26-14-27-46-41-22-9-12-30-51(41)57-54(45)46/h1-33H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-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-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine is sourced from PubChem (CID 155303513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).