N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline

C50H39NS — CID 170294488

IUPACN-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C50H39NS/c1-50(2,3)37-28-32-39(33-29-37)51(38-30-26-35(27-31-38)41-21-13-23-45-43-19-8-10-25-47(43)52-49(41)45)46-24-9-7-18-42(46)44-22-12-17-36-16-11-20-40(48(36)44)34-14-5-4-6-15-34/h4-33H,1-3H3
InChIKeyUEPIEXBSGNOQPP-UHFFFAOYSA-N
MW685.94 g/mol
LogP14.98
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline

N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170294488) has the molecular formula C50H39NS and a molecular weight of 685.94 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170294488
Molecular FormulaC50H39NS
Molecular Weight685.94 g/mol
Exact Mass685.28
IUPAC NameN-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C50H39NS/c1-50(2,3)37-28-32-39(33-29-37)51(38-30-26-35(27-31-38)41-21-13-23-45-43-19-8-10-25-47(43)52-49(41)45)46-24-9-7-18-42(46)44-22-12-17-36-16-11-20-40(48(36)44)34-14-5-4-6-15-34/h4-33H,1-3H3
InChIKeyUEPIEXBSGNOQPP-UHFFFAOYSA-N
XLogP14.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.94
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294602
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294383
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170301701
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N,N-bis[4-(4-tert-butylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165067244
N-(4-tert-butylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289912

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline (CID 170294488) is N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is UEPIEXBSGNOQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NS/c1-50(2,3)37-28-32-39(33-29-37)51(38-30-26-35(27-31-38)41-21-13-23-45-43-19-8-10-25-47(43)52-49(41)45)46-24-9-7-18-42(46)44-22-12-17-36-16-11-20-40(48(36)44)34-14-5-4-6-15-34/h4-33H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 685.94 g/mol, XLogP of 14.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170294488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).