N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine

C61H39NS2 — CID 171451686

IUPACN-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C61H39NS2/c1-3-14-43(15-4-1)61(44-16-5-2-6-17-44)55-23-10-7-18-49(55)50-36-35-47(39-56(50)61)62(45-31-26-40(27-32-45)42-30-37-59-54(38-42)52-20-9-11-24-57(52)63-59)46-33-28-41(29-34-46)48-21-13-22-53-51-19-8-12-25-58(51)64-60(48)53/h1-39H/i26D,27D,31D,32D
InChIKeyYNYVHKZDUQLXPZ-DHADARJPSA-N
MW854.15 g/mol
LogP17.59
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine (PubChem CID 171451686) has the molecular formula C61H39NS2 and a molecular weight of 854.15 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine
PubChem CID171451686
Molecular FormulaC61H39NS2
Molecular Weight854.15 g/mol
Exact Mass853.28
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C61H39NS2/c1-3-14-43(15-4-1)61(44-16-5-2-6-17-44)55-23-10-7-18-49(55)50-36-35-47(39-56(50)61)62(45-31-26-40(27-32-45)42-30-37-59-54(38-42)52-20-9-11-24-57(52)63-59)46-33-28-41(29-34-46)48-21-13-22-53-51-19-8-12-25-58(51)64-60(48)53/h1-39H/i26D,27D,31D,32D
InChIKeyYNYVHKZDUQLXPZ-DHADARJPSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.15
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451843
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine
CID 153433797
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine (CID 171451686) is N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine?
The InChIKey is YNYVHKZDUQLXPZ-DHADARJPSA-N. The full InChI is InChI=1S/C61H39NS2/c1-3-14-43(15-4-1)61(44-16-5-2-6-17-44)55-23-10-7-18-49(55)50-36-35-47(39-56(50)61)62(45-31-26-40(27-32-45)42-30-37-59-54(38-42)52-20-9-11-24-57(52)63-59)46-33-28-41(29-34-46)48-21-13-22-53-51-19-8-12-25-58(51)64-60(48)53/h1-39H/i26D,27D,31D,32D.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine has a molecular weight of 854.15 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171451686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).