N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine

C55H37NS — CID 122675269

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H37NS/c1-5-17-38(18-6-1)40-29-33-52(48(35-40)39-19-7-2-8-20-39)56(43-31-34-54-49(36-43)47-26-14-16-28-53(47)57-54)44-30-32-46-45-25-13-15-27-50(45)55(51(46)37-44,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-37H
InChIKeyLRIHRWPHHNCFHB-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.22
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine (PubChem CID 122675269) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
PubChem CID122675269
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H37NS/c1-5-17-38(18-6-1)40-29-33-52(48(35-40)39-19-7-2-8-20-39)56(43-31-34-54-49(36-43)47-26-14-16-28-53(47)57-54)44-30-32-46-45-25-13-15-27-50(45)55(51(46)37-44,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-37H
InChIKeyLRIHRWPHHNCFHB-UHFFFAOYSA-N
XLogP15.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
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-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675379
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
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-[4-[4-(N-dibenzothiophen-2-yl-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-methylphenyl)-9,9-diphenylfluoren-2-amine;3-methyl-4-[2-methyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160562692

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine (CID 122675269) is N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine?
The InChIKey is LRIHRWPHHNCFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-5-17-38(18-6-1)40-29-33-52(48(35-40)39-19-7-2-8-20-39)56(43-31-34-54-49(36-43)47-26-14-16-28-53(47)57-54)44-30-32-46-45-25-13-15-27-50(45)55(51(46)37-44,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-37H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine has a molecular weight of 743.98 g/mol, XLogP of 15.22, 7 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-(2,4-diphenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 122675269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).