N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

C47H43NS — CID 167260670

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C47H43NS/c1-45(2)25-26-46(3,4)40-28-31(21-23-38(40)45)30-13-11-14-32(27-30)48(33-22-24-43-36(29-33)34-15-8-10-20-42(34)49-43)41-19-12-18-39-44(41)35-16-7-9-17-37(35)47(39,5)6/h7-24,27-29H,25-26H2,1-6H3
InChIKeyYYMBHIPJELPJAB-UHFFFAOYSA-N
MW653.94 g/mol
LogP13.85
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 167260670) has the molecular formula C47H43NS and a molecular weight of 653.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID167260670
Molecular FormulaC47H43NS
Molecular Weight653.94 g/mol
Exact Mass653.31
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C47H43NS/c1-45(2)25-26-46(3,4)40-28-31(21-23-38(40)45)30-13-11-14-32(27-30)48(33-22-24-43-36(29-33)34-15-8-10-20-42(34)49-43)41-19-12-18-39-44(41)35-16-7-9-17-37(35)47(39,5)6/h7-24,27-29H,25-26H2,1-6H3
InChIKeyYYMBHIPJELPJAB-UHFFFAOYSA-N
XLogP13.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.94
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043081
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-benzo[g]phenanthren-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-amine
CID 167184480
N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139498923
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
CID 167176354
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170665703
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043087
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582431
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)dibenzothiophen-3-amine
CID 170044876

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (CID 167260670) is N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is YYMBHIPJELPJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NS/c1-45(2)25-26-46(3,4)40-28-31(21-23-38(40)45)30-13-11-14-32(27-30)48(33-22-24-43-36(29-33)34-15-8-10-20-42(34)49-43)41-19-12-18-39-44(41)35-16-7-9-17-37(35)47(39,5)6/h7-24,27-29H,25-26H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 653.94 g/mol, XLogP of 13.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 167260670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).