3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline

C61H43NS — CID 156558281

IUPAC3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc3ccccc3c2)CC=C1N(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3sc3ccccc23)c1
InChIInChI=1S/C61H43NS/c1-4-15-42(16-5-1)44-29-34-52(35-30-44)62(53-36-31-45(32-37-53)48-28-27-43-17-10-11-18-46(43)39-48)54-24-14-19-47(40-54)49-33-38-55-57(41-49)61(50-20-6-2-7-21-50,51-22-8-3-9-23-51)59-56-25-12-13-26-58(56)63-60(55)59/h1-31,33-41,45H,32H2
InChIKeyFFDZCMHXLNKHKZ-UHFFFAOYSA-N
MW822.09 g/mol
LogP16.52
Rot. Bonds8

About 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline

3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline (PubChem CID 156558281) has the molecular formula C61H43NS and a molecular weight of 822.09 g/mol. Its IUPAC name is 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
PubChem CID156558281
Molecular FormulaC61H43NS
Molecular Weight822.09 g/mol
Exact Mass821.31
IUPAC Name3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc3ccccc3c2)CC=C1N(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3sc3ccccc23)c1
InChIInChI=1S/C61H43NS/c1-4-15-42(16-5-1)44-29-34-52(35-30-44)62(53-36-31-45(32-37-53)48-28-27-43-17-10-11-18-46(43)39-48)54-24-14-19-47(40-54)49-33-38-55-57(41-49)61(50-20-6-2-7-21-50,51-22-8-3-9-23-51)59-56-25-12-13-26-58(56)63-60(55)59/h1-31,33-41,45H,32H2
InChIKeyFFDZCMHXLNKHKZ-UHFFFAOYSA-N
XLogP16.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.09
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550210
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
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-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 156550026
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857168
10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857145
10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole
CID 144856993
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 156549343

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline (CID 156558281) is 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline is C1=CC(c2ccc3ccccc3c2)CC=C1N(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3sc3ccccc23)c1.
What is the InChIKey of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is FFDZCMHXLNKHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NS/c1-4-15-42(16-5-1)44-29-34-52(35-30-44)62(53-36-31-45(32-37-53)48-28-27-43-17-10-11-18-46(43)39-48)54-24-14-19-47(40-54)49-33-38-55-57(41-49)61(50-20-6-2-7-21-50,51-22-8-3-9-23-51)59-56-25-12-13-26-58(56)63-60(55)59/h1-31,33-41,45H,32H2.
What are the key properties of 3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
3-(10,10-diphenylindeno[1,2-b][1]benzothiol-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 822.09 g/mol, XLogP of 16.52, 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-2-yl)-N-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 156558281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).