N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine

C44H29NS — CID 170301225

IUPACN-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc5ccccc45)c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C44H29NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-36(43(32)34)35-21-6-8-25-39(35)45(38-26-12-17-30-16-4-5-20-33(30)38)40-27-13-29-42-44(40)37-22-7-9-28-41(37)46-42/h1-29H
InChIKeyCCZWIYGAQCGWES-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.16
Rot. Bonds5

About N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine

N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 170301225) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
PubChem CID170301225
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC NameN-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc5ccccc45)c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C44H29NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-36(43(32)34)35-21-6-8-25-39(35)45(38-26-12-17-30-16-4-5-20-33(30)38)40-27-13-29-42-44(40)37-22-7-9-28-41(37)46-42/h1-29H
InChIKeyCCZWIYGAQCGWES-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170301867
N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170298472
N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 167325431
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 170296566
N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 154605490
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N-naphthalen-1-yl-8-phenyl-N-(2-phenylphenyl)naphthalen-1-amine
CID 156570934
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300378
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine (CID 170301225) is N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc5ccccc45)c4cccc5sc6ccccc6c45)c23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is CCZWIYGAQCGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-36(43(32)34)35-21-6-8-25-39(35)45(38-26-12-17-30-16-4-5-20-33(30)38)40-27-13-29-42-44(40)37-22-7-9-28-41(37)46-42/h1-29H.
What are the key properties of N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine?
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 603.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 170301225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).