N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine

C61H41NS — CID 118405397

IUPACN-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(ccc5c3sc3ccccc35)C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H41NS/c1-6-18-42(19-7-1)45-30-32-50(33-31-45)62(52-39-46(43-20-8-2-9-21-43)38-47(40-52)44-22-10-3-11-23-44)51-34-36-56-55(41-51)59-57(37-35-54-53-28-16-17-29-58(53)63-60(54)59)61(56,48-24-12-4-13-25-48)49-26-14-5-15-27-49/h1-41H
InChIKeyFZOPDFZCTZTPGV-UHFFFAOYSA-N
MW820.07 g/mol
LogP16.89
Rot. Bonds8

About N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine

N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine (PubChem CID 118405397) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
PubChem CID118405397
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC NameN-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(ccc5c3sc3ccccc35)C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H41NS/c1-6-18-42(19-7-1)45-30-32-50(33-31-45)62(52-39-46(43-20-8-2-9-21-43)38-47(40-52)44-22-10-3-11-23-44)51-34-36-56-55(41-51)59-57(37-35-54-53-28-16-17-29-58(53)63-60(54)59)61(56,48-24-12-4-13-25-48)49-26-14-5-15-27-49/h1-41H
InChIKeyFZOPDFZCTZTPGV-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462449
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463220
N-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 118405241
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-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
CID 118405294

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine (CID 118405397) is N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine is c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(ccc5c3sc3ccccc35)C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
The InChIKey is FZOPDFZCTZTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-6-18-42(19-7-1)45-30-32-50(33-31-45)62(52-39-46(43-20-8-2-9-21-43)38-47(40-52)44-22-10-3-11-23-44)51-34-36-56-55(41-51)59-57(37-35-54-53-28-16-17-29-58(53)63-60(54)59)61(56,48-24-12-4-13-25-48)49-26-14-5-15-27-49/h1-41H.
What are the key properties of N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine has a molecular weight of 820.07 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine is sourced from PubChem (CID 118405397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).