N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine

C64H43NS — CID 170140757

IUPACN-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4sc5ccccc5c34)cccc21
InChIInChI=1S/C64H43NS/c1-63(2)51-28-10-6-24-48(51)61-46(26-17-32-56(61)63)44-22-7-14-33-57(44)65(58-34-15-8-23-45(58)47-27-18-36-60-62(47)49-25-9-16-35-59(49)66-60)40-37-38-55-50(39-40)43-21-5-13-31-54(43)64(55)52-29-11-3-19-41(52)42-20-4-12-30-53(42)64/h3-39H,1-2H3
InChIKeyFSQWFWBVHRJGHB-UHFFFAOYSA-N
MW858.12 g/mol
LogP17.51
Rot. Bonds5

About N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine

N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 170140757) has the molecular formula C64H43NS and a molecular weight of 858.12 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
PubChem CID170140757
Molecular FormulaC64H43NS
Molecular Weight858.12 g/mol
Exact Mass857.31
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4sc5ccccc5c34)cccc21
InChIInChI=1S/C64H43NS/c1-63(2)51-28-10-6-24-48(51)61-46(26-17-32-56(61)63)44-22-7-14-33-57(44)65(58-34-15-8-23-45(58)47-27-18-36-60-62(47)49-25-9-16-35-59(49)66-60)40-37-38-55-50(39-40)43-21-5-13-31-54(43)64(55)52-29-11-3-19-41(52)42-20-4-12-30-53(42)64/h3-39H,1-2H3
InChIKeyFSQWFWBVHRJGHB-UHFFFAOYSA-N
XLogP17.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.12
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308789
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 170119312
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308861
N-(2-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
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-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 167177582

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine (CID 170140757) is N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4sc5ccccc5c34)cccc21.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is FSQWFWBVHRJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NS/c1-63(2)51-28-10-6-24-48(51)61-46(26-17-32-56(61)63)44-22-7-14-33-57(44)65(58-34-15-8-23-45(58)47-27-18-36-60-62(47)49-25-9-16-35-59(49)66-60)40-37-38-55-50(39-40)43-21-5-13-31-54(43)64(55)52-29-11-3-19-41(52)42-20-4-12-30-53(42)64/h3-39H,1-2H3.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 858.12 g/mol, XLogP of 17.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 170140757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).