N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

C59H43NS — CID 170447579

IUPACN-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C59H43NS/c1-4-16-40(17-5-1)42-30-32-47(33-31-42)60(48-34-35-58-53(37-48)50-25-13-15-27-57(50)61-58)56-39-55-52(38-51(56)44-29-28-41-18-10-11-19-43(41)36-44)49-24-12-14-26-54(49)59(55,45-20-6-2-7-21-45)46-22-8-3-9-23-46/h1-9,12-17,20-39H,10-11,18-19H2
InChIKeyIGYNZCMBNPARHZ-UHFFFAOYSA-N
MW798.07 g/mol
LogP16.10
Rot. Bonds7

About N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 170447579) has the molecular formula C59H43NS and a molecular weight of 798.07 g/mol. Its IUPAC name is N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID170447579
Molecular FormulaC59H43NS
Molecular Weight798.07 g/mol
Exact Mass797.31
IUPAC NameN-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C59H43NS/c1-4-16-40(17-5-1)42-30-32-47(33-31-42)60(48-34-35-58-53(37-48)50-25-13-15-27-57(50)61-58)56-39-55-52(38-51(56)44-29-28-41-18-10-11-19-43(41)36-44)49-24-12-14-26-54(49)59(55,45-20-6-2-7-21-45)46-22-8-3-9-23-46/h1-9,12-17,20-39H,10-11,18-19H2
InChIKeyIGYNZCMBNPARHZ-UHFFFAOYSA-N
XLogP16.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.07
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-9,9'-spirobi[fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 158679524
N-(4-phenylphenyl)-N-[3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-4-amine
CID 170448631
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170447548
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine
CID 153433797
3'-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729582
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480

Frequently Asked Questions

What is the IUPAC name of N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 170447579) is N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is IGYNZCMBNPARHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NS/c1-4-16-40(17-5-1)42-30-32-47(33-31-42)60(48-34-35-58-53(37-48)50-25-13-15-27-57(50)61-58)56-39-55-52(38-51(56)44-29-28-41-18-10-11-19-43(41)36-44)49-24-12-14-26-54(49)59(55,45-20-6-2-7-21-45)46-22-8-3-9-23-46/h1-9,12-17,20-39H,10-11,18-19H2.
What are the key properties of N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 798.07 g/mol, XLogP of 16.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 170447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).