9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine

C182H120N4S4 — CID 167680897

IUPAC9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C50H33NS.3C44H29NS/c1-2-13-37(14-3-1)44-17-8-9-19-47(44)51(42-27-25-36(26-28-42)40-23-21-34-11-4-6-15-38(34)31-40)43-29-30-48-46(33-43)50-45(18-10-20-49(50)52-48)41-24-22-35-12-5-7-16-39(35)32-41;1-2-15-37(16-3-1)45(38-17-8-14-34(28-38)35-22-20-30-10-4-6-12-32(30)26-35)39-24-25-42-41(29-39)44-40(18-9-19-43(44)46-42)36-23-21-31-11-5-7-13-33(31)27-36;1-2-13-37(14-3-1)45(38-23-21-32(22-24-38)35-19-17-30-9-4-6-11-33(30)27-35)39-25-26-42-41(29-39)44-40(15-8-16-43(44)46-42)36-20-18-31-10-5-7-12-34(31)28-36;1-2-14-35(15-3-1)45(36-24-22-32(23-25-36)39-17-8-13-31-11-6-7-16-38(31)39)37-26-27-42-41(29-37)44-40(18-9-19-43(44)46-42)34-21-20-30-10-4-5-12-33(30)28-34/h1-33H;3*1-29H
InChIKeyVNHJKSWLIWZMLK-UHFFFAOYSA-N
MW2491.26 g/mol
LogP54.33
Rot. Bonds21

About 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine

9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 167680897) has the molecular formula C182H120N4S4 and a molecular weight of 2491.26 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
PubChem CID167680897
Molecular FormulaC182H120N4S4
Molecular Weight2491.26 g/mol
Exact Mass2488.84
IUPAC Name9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C50H33NS.3C44H29NS/c1-2-13-37(14-3-1)44-17-8-9-19-47(44)51(42-27-25-36(26-28-42)40-23-21-34-11-4-6-15-38(34)31-40)43-29-30-48-46(33-43)50-45(18-10-20-49(50)52-48)41-24-22-35-12-5-7-16-39(35)32-41;1-2-15-37(16-3-1)45(38-17-8-14-34(28-38)35-22-20-30-10-4-6-12-32(30)26-35)39-24-25-42-41(29-39)44-40(18-9-19-43(44)46-42)36-23-21-31-11-5-7-13-33(31)27-36;1-2-13-37(14-3-1)45(38-23-21-32(22-24-38)35-19-17-30-9-4-6-11-33(30)27-35)39-25-26-42-41(29-39)44-40(15-8-16-43(44)46-42)36-20-18-31-10-5-7-12-34(31)28-36;1-2-14-35(15-3-1)45(36-24-22-32(23-25-36)39-17-8-13-31-11-6-7-16-38(31)39)37-26-27-42-41(29-37)44-40(18-9-19-43(44)46-42)34-21-20-30-10-4-5-12-33(30)28-34/h1-33H;3*1-29H
InChIKeyVNHJKSWLIWZMLK-UHFFFAOYSA-N
XLogP54.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms190
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002491.26
LogP ≤ 554.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine (CID 167680897) is 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3sc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is VNHJKSWLIWZMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS.3C44H29NS/c1-2-13-37(14-3-1)44-17-8-9-19-47(44)51(42-27-25-36(26-28-42)40-23-21-34-11-4-6-15-38(34)31-40)43-29-30-48-46(33-43)50-45(18-10-20-49(50)52-48)41-24-22-35-12-5-7-16-39(35)32-41;1-2-15-37(16-3-1)45(38-17-8-14-34(28-38)35-22-20-30-10-4-6-12-32(30)26-35)39-24-25-42-41(29-39)44-40(18-9-19-43(44)46-42)36-23-21-31-11-5-7-13-33(31)27-36;1-2-13-37(14-3-1)45(38-23-21-32(22-24-38)35-19-17-30-9-4-6-11-33(30)27-35)39-25-26-42-41(29-39)44-40(15-8-16-43(44)46-42)36-20-18-31-10-5-7-12-34(31)28-36;1-2-14-35(15-3-1)45(36-24-22-32(23-25-36)39-17-8-13-31-11-6-7-16-38(31)39)37-26-27-42-41(29-37)44-40(18-9-19-43(44)46-42)34-21-20-30-10-4-5-12-33(30)28-34/h1-33H;3*1-29H.
What are the key properties of 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine?
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 2491.26 g/mol, XLogP of 54.33, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 167680897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).