3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline

C57H39NS — CID 156550026

IUPAC3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4c-5sc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C57H39NS/c1-5-17-40(18-6-1)42-31-35-47(36-32-42)58(48-37-33-43(34-38-48)41-19-7-2-8-20-41)49-26-15-21-44(39-49)50-28-16-29-52-54(50)57(45-22-9-3-10-23-45,46-24-11-4-12-25-46)55-51-27-13-14-30-53(51)59-56(52)55/h1-39H
InChIKeyYFBVPZRNWFIJNM-UHFFFAOYSA-N
MW770.01 g/mol
LogP15.74
Rot. Bonds8

About 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline

3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 156550026) has the molecular formula C57H39NS and a molecular weight of 770.01 g/mol. Its IUPAC name is 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID156550026
Molecular FormulaC57H39NS
Molecular Weight770.01 g/mol
Exact Mass769.28
IUPAC Name3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4c-5sc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C57H39NS/c1-5-17-40(18-6-1)42-31-35-47(36-32-42)58(48-37-33-43(34-38-48)41-19-7-2-8-20-41)49-26-15-21-44(39-49)50-28-16-29-52-54(50)57(45-22-9-3-10-23-45,46-24-11-4-12-25-46)55-51-27-13-14-30-53(51)59-56(52)55/h1-39H
InChIKeyYFBVPZRNWFIJNM-UHFFFAOYSA-N
XLogP15.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.01
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline with MolForge

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Launch Full Analysis

Related Compounds

N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)dibenzothiophen-2-amine
CID 134551407
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550182
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839391
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551386
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline (CID 156550026) is 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4c-5sc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is YFBVPZRNWFIJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NS/c1-5-17-40(18-6-1)42-31-35-47(36-32-42)58(48-37-33-43(34-38-48)41-19-7-2-8-20-41)49-26-15-21-44(39-49)50-28-16-29-52-54(50)57(45-22-9-3-10-23-45,46-24-11-4-12-25-46)55-51-27-13-14-30-53(51)59-56(52)55/h1-39H.
What are the key properties of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline?
3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 770.01 g/mol, XLogP of 15.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 156550026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).