N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C64H42N2S — CID 170298758

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c23)cc1
InChIInChI=1S/C64H42N2S/c1-3-17-43(18-4-1)50-26-13-19-46-20-14-29-55(62(46)50)53-23-7-10-31-58(53)65(48-39-35-44(36-40-48)51-27-16-34-61-63(51)57-25-9-12-33-60(57)67-61)49-41-37-45(38-42-49)52-28-15-30-56-54-24-8-11-32-59(54)66(64(52)56)47-21-5-2-6-22-47/h1-42H
InChIKeyGMDUELXZCSRKRG-UHFFFAOYSA-N
MW871.12 g/mol
LogP18.44
Rot. Bonds8

About N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170298758) has the molecular formula C64H42N2S and a molecular weight of 871.12 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170298758
Molecular FormulaC64H42N2S
Molecular Weight871.12 g/mol
Exact Mass870.31
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c23)cc1
InChIInChI=1S/C64H42N2S/c1-3-17-43(18-4-1)50-26-13-19-46-20-14-29-55(62(46)50)53-23-7-10-31-58(53)65(48-39-35-44(36-40-48)51-27-16-34-61-63(51)57-25-9-12-33-60(57)67-61)49-41-37-45(38-42-49)52-28-15-30-56-54-24-8-11-32-59(54)66(64(52)56)47-21-5-2-6-22-47/h1-42H
InChIKeyGMDUELXZCSRKRG-UHFFFAOYSA-N
XLogP18.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.12
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566
N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170298472
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297506

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170298758) is N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is GMDUELXZCSRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2S/c1-3-17-43(18-4-1)50-26-13-19-46-20-14-29-55(62(46)50)53-23-7-10-31-58(53)65(48-39-35-44(36-40-48)51-27-16-34-61-63(51)57-25-9-12-33-60(57)67-61)49-41-37-45(38-42-49)52-28-15-30-56-54-24-8-11-32-59(54)66(64(52)56)47-21-5-2-6-22-47/h1-42H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 871.12 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170298758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).