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

C55H39NS — CID 177280656

IUPACN-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3-c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C55H39NS/c1-55(2)48-18-10-8-16-45(48)46-31-30-44(35-49(46)55)56(43-28-26-38(27-29-43)36-12-4-3-5-13-36)50-32-33-52-54(47-17-9-11-19-51(47)57-52)53(50)40-23-20-39(21-24-40)42-25-22-37-14-6-7-15-41(37)34-42/h3-35H,1-2H3
InChIKeyAVZUHWWZYCTZRJ-UHFFFAOYSA-N
MW745.99 g/mol
LogP15.98
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 177280656) has the molecular formula C55H39NS and a molecular weight of 745.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID177280656
Molecular FormulaC55H39NS
Molecular Weight745.99 g/mol
Exact Mass745.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3-c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C55H39NS/c1-55(2)48-18-10-8-16-45(48)46-31-30-44(35-49(46)55)56(43-28-26-38(27-29-43)36-12-4-3-5-13-36)50-32-33-52-54(47-17-9-11-19-51(47)57-52)53(50)40-23-20-39(21-24-40)42-25-22-37-14-6-7-15-41(37)34-42/h3-35H,1-2H3
InChIKeyAVZUHWWZYCTZRJ-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177281437
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine
CID 177281133
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170042861
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 177280656) is N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3-c3ccc(-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is AVZUHWWZYCTZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NS/c1-55(2)48-18-10-8-16-45(48)46-31-30-44(35-49(46)55)56(43-28-26-38(27-29-43)36-12-4-3-5-13-36)50-32-33-52-54(47-17-9-11-19-51(47)57-52)53(50)40-23-20-39(21-24-40)42-25-22-37-14-6-7-15-41(37)34-42/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 745.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 177280656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).