N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline

C57H37NS — CID 134551410

IUPACN,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5sc6ccccc6c54)cc3)cc2)cc1
InChIInChI=1S/C57H37NS/c1-3-15-41(16-4-1)45-19-9-13-25-53(45)58(43-17-5-2-6-18-43)44-34-31-39(32-35-44)38-27-29-40(30-28-38)42-33-36-47-46-20-7-11-23-50(46)57(52(47)37-42)51-24-12-8-21-48(51)56-55(57)49-22-10-14-26-54(49)59-56/h1-37H
InChIKeyHHMXXNIQOVESKC-UHFFFAOYSA-N
MW768.00 g/mol
LogP15.72
Rot. Bonds6

About N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline

N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline (PubChem CID 134551410) has the molecular formula C57H37NS and a molecular weight of 768.00 g/mol. Its IUPAC name is N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
PubChem CID134551410
Molecular FormulaC57H37NS
Molecular Weight768.00 g/mol
Exact Mass767.26
IUPAC NameN,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5sc6ccccc6c54)cc3)cc2)cc1
InChIInChI=1S/C57H37NS/c1-3-15-41(16-4-1)45-19-9-13-25-53(45)58(43-17-5-2-6-18-43)44-34-31-39(32-35-44)38-27-29-40(30-28-38)42-33-36-47-46-20-7-11-23-50(46)57(52(47)37-42)51-24-12-8-21-48(51)56-55(57)49-22-10-14-26-54(49)59-56/h1-37H
InChIKeyHHMXXNIQOVESKC-UHFFFAOYSA-N
XLogP15.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.00
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551386
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine
CID 159273209
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine
CID 134529937
N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919200
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-amine;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-amine
CID 162173800
N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551351
2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919484
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326040
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline?
The IUPAC name of N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline (CID 134551410) is N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5sc6ccccc6c54)cc3)cc2)cc1.
What is the InChIKey of N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline?
The InChIKey is HHMXXNIQOVESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NS/c1-3-15-41(16-4-1)45-19-9-13-25-53(45)58(43-17-5-2-6-18-43)44-34-31-39(32-35-44)38-27-29-40(30-28-38)42-33-36-47-46-20-7-11-23-50(46)57(52(47)37-42)51-24-12-8-21-48(51)56-55(57)49-22-10-14-26-54(49)59-56/h1-37H.
What are the key properties of N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline?
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline has a molecular weight of 768.00 g/mol, XLogP of 15.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 134551410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).