9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine

C70H47NOS — CID 170140717

IUPAC9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C70H47NOS/c1-69(2)58-28-12-7-26-56(58)68-55(27-18-30-60(68)69)51-23-9-15-32-63(51)71(62-31-14-8-21-48(62)44-35-38-54-53-25-11-17-34-66(53)73-67(54)41-44)47-37-39-50-49-22-6-13-29-59(49)70(61(50)43-47,45-19-4-3-5-20-45)46-36-40-65-57(42-46)52-24-10-16-33-64(52)72-65/h3-43H,1-2H3
InChIKeyZGJJXZDGYLMZND-UHFFFAOYSA-N
MW950.22 g/mol
LogP19.43
Rot. Bonds7

About 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine

9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine (PubChem CID 170140717) has the molecular formula C70H47NOS and a molecular weight of 950.22 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
PubChem CID170140717
Molecular FormulaC70H47NOS
Molecular Weight950.22 g/mol
Exact Mass949.34
IUPAC Name9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C70H47NOS/c1-69(2)58-28-12-7-26-56(58)68-55(27-18-30-60(68)69)51-23-9-15-32-63(51)71(62-31-14-8-21-48(62)44-35-38-54-53-25-11-17-34-66(53)73-67(54)41-44)47-37-39-50-49-22-6-13-29-59(49)70(61(50)43-47,45-19-4-3-5-20-45)46-36-40-65-57(42-46)52-24-10-16-33-64(52)72-65/h3-43H,1-2H3
InChIKeyZGJJXZDGYLMZND-UHFFFAOYSA-N
XLogP19.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.22
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(2-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 160626723
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N,N-bis(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-4-amine;N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-4-amine
CID 162257525
N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163746668
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine
CID 170138611
N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]aniline;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163589564
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine?
The IUPAC name of 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine (CID 170140717) is 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine.
What is the SMILES notation for 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine?
The canonical SMILES for 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21.
What is the InChIKey of 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine?
The InChIKey is ZGJJXZDGYLMZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47NOS/c1-69(2)58-28-12-7-26-56(58)68-55(27-18-30-60(68)69)51-23-9-15-32-63(51)71(62-31-14-8-21-48(62)44-35-38-54-53-25-11-17-34-66(53)73-67(54)41-44)47-37-39-50-49-22-6-13-29-59(49)70(61(50)43-47,45-19-4-3-5-20-45)46-36-40-65-57(42-46)52-24-10-16-33-64(52)72-65/h3-43H,1-2H3.
What are the key properties of 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine?
9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine has a molecular weight of 950.22 g/mol, XLogP of 19.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 170140717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).