N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine

C52H33NS — CID 168846152

IUPACN-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
SMILESc1cc(-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3sc4ccccc4c23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C52H33NS/c1-2-18-38-34(14-1)15-12-25-39(38)35-16-11-17-36(32-35)40-19-7-9-26-48(40)53(49-27-13-29-51-52(49)46-24-8-10-28-50(46)54-51)37-30-31-45-43-22-4-3-20-41(43)42-21-5-6-23-44(42)47(45)33-37/h1-33H
InChIKeyDRXTVAZLEDGECS-UHFFFAOYSA-N
MW703.91 g/mol
LogP15.47
Rot. Bonds5

About N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine

N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine (PubChem CID 168846152) has the molecular formula C52H33NS and a molecular weight of 703.91 g/mol. Its IUPAC name is N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
PubChem CID168846152
Molecular FormulaC52H33NS
Molecular Weight703.91 g/mol
Exact Mass703.23
IUPAC NameN-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
SMILESc1cc(-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3sc4ccccc4c23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C52H33NS/c1-2-18-38-34(14-1)15-12-25-39(38)35-16-11-17-36(32-35)40-19-7-9-26-48(40)53(49-27-13-29-51-52(49)46-24-8-10-28-50(46)54-51)37-30-31-45-43-22-4-3-20-41(43)42-21-5-6-23-44(42)47(45)33-37/h1-33H
InChIKeyDRXTVAZLEDGECS-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.91
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 169061858
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167182895
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine?
The IUPAC name of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine (CID 168846152) is N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine.
What is the SMILES notation for N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine?
The canonical SMILES for N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine is c1cc(-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3sc4ccccc4c23)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine?
The InChIKey is DRXTVAZLEDGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS/c1-2-18-38-34(14-1)15-12-25-39(38)35-16-11-17-36(32-35)40-19-7-9-26-48(40)53(49-27-13-29-51-52(49)46-24-8-10-28-50(46)54-51)37-30-31-45-43-22-4-3-20-41(43)42-21-5-6-23-44(42)47(45)33-37/h1-33H.
What are the key properties of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine?
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine has a molecular weight of 703.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine is sourced from PubChem (CID 168846152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).