N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

C59H39NS — CID 168767225

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc(-c5cccc6ccccc56)c4)cc32)cc1
InChIInChI=1S/C59H39NS/c1-3-20-44(21-4-1)59(45-22-5-2-6-23-45)55-30-11-9-27-51(55)52-34-33-48(39-56(52)59)60(47-25-14-19-43(37-47)50-29-15-17-40-16-7-8-26-49(40)50)46-24-13-18-41(36-46)42-32-35-58-54(38-42)53-28-10-12-31-57(53)61-58/h1-39H
InChIKeyPTLFJKPXTNKIGG-UHFFFAOYSA-N
MW794.04 g/mol
LogP16.37
Rot. Bonds7

About N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 168767225) has the molecular formula C59H39NS and a molecular weight of 794.04 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID168767225
Molecular FormulaC59H39NS
Molecular Weight794.04 g/mol
Exact Mass793.28
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc(-c5cccc6ccccc56)c4)cc32)cc1
InChIInChI=1S/C59H39NS/c1-3-20-44(21-4-1)59(45-22-5-2-6-23-45)55-30-11-9-27-51(55)52-34-33-48(39-56(52)59)60(47-25-14-19-43(37-47)50-29-15-17-40-16-7-8-26-49(40)50)46-24-13-18-41(36-46)42-32-35-58-54(38-42)53-28-10-12-31-57(53)61-58/h1-39H
InChIKeyPTLFJKPXTNKIGG-UHFFFAOYSA-N
XLogP16.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.04
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
N-(3-dibenzothiophen-2-ylphenyl)-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766941
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168807272
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 168767225) is N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc(-c5cccc6ccccc56)c4)cc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is PTLFJKPXTNKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS/c1-3-20-44(21-4-1)59(45-22-5-2-6-23-45)55-30-11-9-27-51(55)52-34-33-48(39-56(52)59)60(47-25-14-19-43(37-47)50-29-15-17-40-16-7-8-26-49(40)50)46-24-13-18-41(36-46)42-32-35-58-54(38-42)53-28-10-12-31-57(53)61-58/h1-39H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 794.04 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 168767225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).