N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine

C65H43NS — CID 176630483

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2cccc3sc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c23)cc1
InChIInChI=1S/C65H43NS/c1-4-18-44(19-5-1)54-27-12-13-28-55(54)58-31-17-33-62-64(58)59-41-39-51(43-63(59)67-62)66(49-36-34-46(35-37-49)53-30-16-21-45-20-10-11-26-52(45)53)50-38-40-57-56-29-14-15-32-60(56)65(61(57)42-50,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-43H
InChIKeyDBPDGUAMRDGXGN-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 176630483) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID176630483
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2cccc3sc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c23)cc1
InChIInChI=1S/C65H43NS/c1-4-18-44(19-5-1)54-27-12-13-28-55(54)58-31-17-33-62-64(58)59-41-39-51(43-63(59)67-62)66(49-36-34-46(35-37-49)53-30-16-21-45-20-10-11-26-52(45)53)50-38-40-57-56-29-14-15-32-60(56)65(61(57)42-50,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-43H
InChIKeyDBPDGUAMRDGXGN-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.13
LogP ≤ 518.04
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-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451843
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168807272
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(3-dibenzothiophen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767028
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-[3-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176630470

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine (CID 176630483) is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccccc2-c2cccc3sc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is DBPDGUAMRDGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-4-18-44(19-5-1)54-27-12-13-28-55(54)58-31-17-33-62-64(58)59-41-39-51(43-63(59)67-62)66(49-36-34-46(35-37-49)53-30-16-21-45-20-10-11-26-52(45)53)50-38-40-57-56-29-14-15-32-60(56)65(61(57)42-50,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 870.13 g/mol, XLogP of 18.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 176630483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).