N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine

C46H29NS2 — CID 167234172

IUPACN-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc3sc4ccccc4c23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C46H29NS2/c1-2-13-31(14-3-1)35-28-27-32(34-20-10-16-30-15-4-5-17-33(30)34)29-40(35)47(38-21-11-25-43-45(38)36-18-6-8-23-41(36)48-43)39-22-12-26-44-46(39)37-19-7-9-24-42(37)49-44/h1-29H
InChIKeyWINZQLXULXRRGJ-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

About N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine

N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 167234172) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
PubChem CID167234172
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc3sc4ccccc4c23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C46H29NS2/c1-2-13-31(14-3-1)35-28-27-32(34-20-10-16-30-15-4-5-17-33(30)34)29-40(35)47(38-21-11-25-43-45(38)36-18-6-8-23-41(36)48-43)39-22-12-26-44-46(39)37-19-7-9-24-42(37)49-44/h1-29H
InChIKeyWINZQLXULXRRGJ-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 170296566
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 169061858
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine
CID 177097163
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325782
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
CID 168846152

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine (CID 167234172) is N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc3sc4ccccc4c23)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is WINZQLXULXRRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-13-31(14-3-1)35-28-27-32(34-20-10-16-30-15-4-5-17-33(30)34)29-40(35)47(38-21-11-25-43-45(38)36-18-6-8-23-41(36)48-43)39-22-12-26-44-46(39)37-19-7-9-24-42(37)49-44/h1-29H.
What are the key properties of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine?
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 659.88 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167234172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).