N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine

C64H45NOS — CID 170138611

IUPACN-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccc4sc5c(c4c3)CCC=C5)cccc21
InChIInChI=1S/C64H45NOS/c1-63(2)53-25-11-7-23-50(53)62-49(24-16-27-55(62)63)46-20-8-13-28-57(46)65(42-33-36-61-52(38-42)48-22-10-15-30-60(48)67-61)43-32-34-45-44-19-6-12-26-54(44)64(56(45)39-43,40-17-4-3-5-18-40)41-31-35-59-51(37-41)47-21-9-14-29-58(47)66-59/h3-9,11-21,23-39H,10,22H2,1-2H3
InChIKeyZMVDUUHTQLGAQM-UHFFFAOYSA-N
MW876.14 g/mol
LogP17.57
Rot. Bonds6

About N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine

N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine (PubChem CID 170138611) has the molecular formula C64H45NOS and a molecular weight of 876.14 g/mol. Its IUPAC name is N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine
PubChem CID170138611
Molecular FormulaC64H45NOS
Molecular Weight876.14 g/mol
Exact Mass875.32
IUPAC NameN-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccc4sc5c(c4c3)CCC=C5)cccc21
InChIInChI=1S/C64H45NOS/c1-63(2)53-25-11-7-23-50(53)62-49(24-16-27-55(62)63)46-20-8-13-28-57(46)65(42-33-36-61-52(38-42)48-22-10-15-30-60(48)67-61)43-32-34-45-44-19-6-12-26-54(44)64(56(45)39-43,40-17-4-3-5-18-40)41-31-35-59-51(37-41)47-21-9-14-29-58(47)66-59/h3-9,11-21,23-39H,10,22H2,1-2H3
InChIKeyZMVDUUHTQLGAQM-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.14
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
CID 170140717
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 147414987
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
N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
CID 167285348
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724
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

Frequently Asked Questions

What is the IUPAC name of N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine?
The IUPAC name of N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine (CID 170138611) is N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine.
What is the SMILES notation for N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine?
The canonical SMILES for N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccc4sc5c(c4c3)CCC=C5)cccc21.
What is the InChIKey of N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine?
The InChIKey is ZMVDUUHTQLGAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NOS/c1-63(2)53-25-11-7-23-50(53)62-49(24-16-27-55(62)63)46-20-8-13-28-57(46)65(42-33-36-61-52(38-42)48-22-10-15-30-60(48)67-61)43-32-34-45-44-19-6-12-26-54(44)64(56(45)39-43,40-17-4-3-5-18-40)41-31-35-59-51(37-41)47-21-9-14-29-58(47)66-59/h3-9,11-21,23-39H,10,22H2,1-2H3.
What are the key properties of N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine?
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine has a molecular weight of 876.14 g/mol, XLogP of 17.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-8,9-dihydrodibenzothiophen-2-amine is sourced from PubChem (CID 170138611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).