N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine

C59H49NOS — CID 169030004

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1cccc(-c2ccccc2-c2cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)c2)c13
InChIInChI=1S/C59H49NOS/c1-57(2)30-31-58(3,4)49-35-52-45(34-48(49)57)55-43(22-14-25-51(55)61-52)40-19-8-7-18-39(40)36-16-13-17-37(32-36)60(50-24-15-27-54-56(50)44-21-10-12-26-53(44)62-54)38-28-29-42-41-20-9-11-23-46(41)59(5,6)47(42)33-38/h7-29,32-35H,30-31H2,1-6H3
InChIKeyYKIHATGTDSHDFI-UHFFFAOYSA-N
MW820.11 g/mol
LogP17.41
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine (PubChem CID 169030004) has the molecular formula C59H49NOS and a molecular weight of 820.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine
PubChem CID169030004
Molecular FormulaC59H49NOS
Molecular Weight820.11 g/mol
Exact Mass819.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1cccc(-c2ccccc2-c2cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)c2)c13
InChIInChI=1S/C59H49NOS/c1-57(2)30-31-58(3,4)49-35-52-45(34-48(49)57)55-43(22-14-25-51(55)61-52)40-19-8-7-18-39(40)36-16-13-17-37(32-36)60(50-24-15-27-54-56(50)44-21-10-12-26-53(44)62-54)38-28-29-42-41-20-9-11-23-46(41)59(5,6)47(42)33-38/h7-29,32-35H,30-31H2,1-6H3
InChIKeyYKIHATGTDSHDFI-UHFFFAOYSA-N
XLogP17.41
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.11
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170301437
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 169030073
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
CID 176824535
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 164983589
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281539
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170216408

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine (CID 169030004) is N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)oc1cccc(-c2ccccc2-c2cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)c2)c13.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine?
The InChIKey is YKIHATGTDSHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49NOS/c1-57(2)30-31-58(3,4)49-35-52-45(34-48(49)57)55-43(22-14-25-51(55)61-52)40-19-8-7-18-39(40)36-16-13-17-37(32-36)60(50-24-15-27-54-56(50)44-21-10-12-26-53(44)62-54)38-28-29-42-41-20-9-11-23-46(41)59(5,6)47(42)33-38/h7-29,32-35H,30-31H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine has a molecular weight of 820.11 g/mol, XLogP of 17.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 169030004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).