N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine

C122H84N2O2S — CID 163533094

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc21.c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)cc3)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C61H39NOS.C61H45NO/c1-3-15-40(16-4-1)42-17-13-20-47(37-42)62(56-27-14-24-52-51-23-9-12-28-59(51)64-60(52)56)46-33-29-41(30-34-46)43-31-36-57-53(38-43)50-35-32-45(39-58(50)63-57)61(44-18-5-2-6-19-44)54-25-10-7-21-48(54)49-22-8-11-26-55(49)61;1-59(2)51-22-12-8-18-43(51)47-30-27-40(35-55(47)59)62(41-28-31-48-44-19-9-13-23-52(44)60(3,4)56(48)36-41)42-29-32-49-50-34-39(26-33-57(50)63-58(49)37-42)61(38-16-6-5-7-17-38)53-24-14-10-20-45(53)46-21-11-15-25-54(46)61/h1-39H;5-37H,1-4H3
InChIKeyDUQSKJBUHUIJPY-UHFFFAOYSA-N
MW1642.09 g/mol
LogP33.15
Rot. Bonds12

About N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 163533094) has the molecular formula C122H84N2O2S and a molecular weight of 1642.09 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
PubChem CID163533094
Molecular FormulaC122H84N2O2S
Molecular Weight1642.09 g/mol
Exact Mass1640.63
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc21.c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)cc3)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C61H39NOS.C61H45NO/c1-3-15-40(16-4-1)42-17-13-20-47(37-42)62(56-27-14-24-52-51-23-9-12-28-59(51)64-60(52)56)46-33-29-41(30-34-46)43-31-36-57-53(38-43)50-35-32-45(39-58(50)63-57)61(44-18-5-2-6-19-44)54-25-10-7-21-48(54)49-22-8-11-26-55(49)61;1-59(2)51-22-12-8-18-43(51)47-30-27-40(35-55(47)59)62(41-28-31-48-44-19-9-13-23-52(44)60(3,4)56(48)36-41)42-29-32-49-50-34-39(26-33-57(50)63-58(49)37-42)61(38-16-6-5-7-17-38)53-24-14-10-20-45(53)46-21-11-15-25-54(46)61/h1-39H;5-37H,1-4H3
InChIKeyDUQSKJBUHUIJPY-UHFFFAOYSA-N
XLogP33.15
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001642.09
LogP ≤ 533.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163965802
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine
CID 163616043
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-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
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
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
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-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
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
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine;N-phenyl-N-(4-phenylphenyl)-3-[7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-yl]aniline
CID 163450509
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine (CID 163533094) is N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)cc21.c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)cc3)c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is DUQSKJBUHUIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS.C61H45NO/c1-3-15-40(16-4-1)42-17-13-20-47(37-42)62(56-27-14-24-52-51-23-9-12-28-59(51)64-60(52)56)46-33-29-41(30-34-46)43-31-36-57-53(38-43)50-35-32-45(39-58(50)63-57)61(44-18-5-2-6-19-44)54-25-10-7-21-48(54)49-22-8-11-26-55(49)61;1-59(2)51-22-12-8-18-43(51)47-30-27-40(35-55(47)59)62(41-28-31-48-44-19-9-13-23-52(44)60(3,4)56(48)36-41)42-29-32-49-50-34-39(26-33-57(50)63-58(49)37-42)61(38-16-6-5-7-17-38)53-24-14-10-20-45(53)46-21-11-15-25-54(46)61/h1-39H;5-37H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 1642.09 g/mol, XLogP of 33.15, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 163533094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).