N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine

C50H31NS2 — CID 167339243

IUPACN-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine
SMILESc1ccc(-c2cc3ccccc3c3sc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6sc7ccccc7c6c5)cc4c23)cc1
InChIInChI=1S/C50H31NS2/c1-2-11-34(12-3-1)43-29-37-14-6-7-15-41(37)50-49(43)45-31-40(25-27-48(45)53-50)51(39-24-26-47-44(30-39)42-16-8-9-17-46(42)52-47)38-22-20-33(21-23-38)36-19-18-32-10-4-5-13-35(32)28-36/h1-31H
InChIKeyAZPVGVDNMJVJBK-UHFFFAOYSA-N
MW709.94 g/mol
LogP15.53
Rot. Bonds5

About N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine

N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine (PubChem CID 167339243) has the molecular formula C50H31NS2 and a molecular weight of 709.94 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine
PubChem CID167339243
Molecular FormulaC50H31NS2
Molecular Weight709.94 g/mol
Exact Mass709.19
IUPAC NameN-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine
SMILESc1ccc(-c2cc3ccccc3c3sc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6sc7ccccc7c6c5)cc4c23)cc1
InChIInChI=1S/C50H31NS2/c1-2-11-34(12-3-1)43-29-37-14-6-7-15-41(37)50-49(43)45-31-40(25-27-48(45)53-50)51(39-24-26-47-44(30-39)42-16-8-9-17-46(42)52-47)38-22-20-33(21-23-38)36-19-18-32-10-4-5-13-35(32)28-36/h1-31H
InChIKeyAZPVGVDNMJVJBK-UHFFFAOYSA-N
XLogP15.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339393
N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339317
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine
CID 162060170
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-(3-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-2-amine
CID 166566603

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine (CID 167339243) is N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine is c1ccc(-c2cc3ccccc3c3sc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6sc7ccccc7c6c5)cc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine?
The InChIKey is AZPVGVDNMJVJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NS2/c1-2-11-34(12-3-1)43-29-37-14-6-7-15-41(37)50-49(43)45-31-40(25-27-48(45)53-50)51(39-24-26-47-44(30-39)42-16-8-9-17-46(42)52-47)38-22-20-33(21-23-38)36-19-18-32-10-4-5-13-35(32)28-36/h1-31H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine?
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine has a molecular weight of 709.94 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine is sourced from PubChem (CID 167339243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).