N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine

C204H129N3OS2 — CID 160996301

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C68H43NO.2C68H43NS/c1-3-21-45(22-4-1)67(46-23-5-2-6-24-46)57-33-12-9-28-52(57)56-43-48(40-41-61(56)67)69(47-25-17-20-44(42-47)49-31-18-32-54-53-29-11-16-39-64(53)70-66(49)54)63-38-19-37-62-65(63)55-30-10-15-36-60(55)68(62)58-34-13-7-26-50(58)51-27-8-14-35-59(51)68;1-3-19-45(20-4-1)67(46-21-5-2-6-22-46)57-30-12-9-25-52(57)56-43-48(41-42-61(56)67)69(47-39-37-44(38-40-47)49-28-17-29-54-53-26-11-16-36-64(53)70-66(49)54)63-35-18-34-62-65(63)55-27-10-15-33-60(55)68(62)58-31-13-7-23-50(58)51-24-8-14-32-59(51)68;1-3-18-46(19-4-1)67(47-20-5-2-6-21-47)57-27-12-9-24-52(57)55-43-49(39-40-61(55)67)69(48-37-34-44(35-38-48)45-36-41-65-56(42-45)53-25-11-16-33-64(53)70-65)63-32-17-31-62-66(63)54-26-10-15-30-60(54)68(62)58-28-13-7-22-50(58)51-23-8-14-29-59(51)68/h3*1-43H
InChIKeyTVHFHLGMIPZHTC-UHFFFAOYSA-N
MW2702.43 g/mol
LogP53.23
Rot. Bonds18

About N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 160996301) has the molecular formula C204H129N3OS2 and a molecular weight of 2702.43 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID160996301
Molecular FormulaC204H129N3OS2
Molecular Weight2702.43 g/mol
Exact Mass2699.96
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C68H43NO.2C68H43NS/c1-3-21-45(22-4-1)67(46-23-5-2-6-24-46)57-33-12-9-28-52(57)56-43-48(40-41-61(56)67)69(47-25-17-20-44(42-47)49-31-18-32-54-53-29-11-16-39-64(53)70-66(49)54)63-38-19-37-62-65(63)55-30-10-15-36-60(55)68(62)58-34-13-7-26-50(58)51-27-8-14-35-59(51)68;1-3-19-45(20-4-1)67(46-21-5-2-6-22-46)57-30-12-9-25-52(57)56-43-48(41-42-61(56)67)69(47-39-37-44(38-40-47)49-28-17-29-54-53-26-11-16-36-64(53)70-66(49)54)63-35-18-34-62-65(63)55-27-10-15-33-60(55)68(62)58-31-13-7-23-50(58)51-24-8-14-32-59(51)68;1-3-18-46(19-4-1)67(47-20-5-2-6-21-47)57-27-12-9-24-52(57)55-43-49(39-40-61(55)67)69(48-37-34-44(35-38-48)45-36-41-65-56(42-45)53-25-11-16-33-64(53)70-65)63-32-17-31-62-66(63)54-26-10-15-30-60(54)68(62)58-28-13-7-22-50(58)51-23-8-14-29-59(51)68/h3*1-43H
InChIKeyTVHFHLGMIPZHTC-UHFFFAOYSA-N
XLogP53.23
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002702.43
LogP ≤ 553.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 158068867
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424214
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 160610826
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 161432391
N-(3-dibenzofuran-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 158693483
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 162198372
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine (CID 160996301) is N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is TVHFHLGMIPZHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO.2C68H43NS/c1-3-21-45(22-4-1)67(46-23-5-2-6-24-46)57-33-12-9-28-52(57)56-43-48(40-41-61(56)67)69(47-25-17-20-44(42-47)49-31-18-32-54-53-29-11-16-39-64(53)70-66(49)54)63-38-19-37-62-65(63)55-30-10-15-36-60(55)68(62)58-34-13-7-26-50(58)51-27-8-14-35-59(51)68;1-3-19-45(20-4-1)67(46-21-5-2-6-22-46)57-30-12-9-25-52(57)56-43-48(41-42-61(56)67)69(47-39-37-44(38-40-47)49-28-17-29-54-53-26-11-16-36-64(53)70-66(49)54)63-35-18-34-62-65(63)55-27-10-15-33-60(55)68(62)58-31-13-7-23-50(58)51-24-8-14-32-59(51)68;1-3-18-46(19-4-1)67(47-20-5-2-6-21-47)57-27-12-9-24-52(57)55-43-49(39-40-61(55)67)69(48-37-34-44(35-38-48)45-36-41-65-56(42-45)53-25-11-16-33-64(53)70-65)63-32-17-31-62-66(63)54-26-10-15-30-60(54)68(62)58-28-13-7-22-50(58)51-23-8-14-29-59(51)68/h3*1-43H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 2702.43 g/mol, XLogP of 53.23, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 160996301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).