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

C174H117N3O3 — CID 157347077

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)c21.CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/3C58H39NO/c1-57(2)47-26-9-3-20-40(47)44-23-15-24-45(55(44)57)42-21-7-13-30-52(42)59(53-31-16-25-46-43-22-8-14-32-54(43)60-56(46)53)36-33-34-41-39-19-6-12-29-50(39)58(51(41)35-36)48-27-10-4-17-37(48)38-18-5-11-28-49(38)58;1-57(2)48-24-9-3-19-41(48)45-22-15-23-46(56(45)57)43-20-7-13-28-53(43)59(36-31-33-55-47(34-36)44-21-8-14-29-54(44)60-55)37-30-32-42-40-18-6-12-27-51(40)58(52(42)35-37)49-25-10-4-16-38(49)39-17-5-11-26-50(39)58;1-57(2)48-24-9-3-19-41(48)46-22-15-23-47(56(46)57)43-20-7-13-28-53(43)59(37-31-33-45-44-21-8-14-29-54(44)60-55(45)35-37)36-30-32-42-40-18-6-12-27-51(40)58(52(42)34-36)49-25-10-4-16-38(49)39-17-5-11-26-50(39)58/h3*3-35H,1-2H3
InChIKeyBHCDPTDBHFECJN-UHFFFAOYSA-N
MW2297.87 g/mol
LogP46.12
Rot. Bonds12

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine (PubChem CID 157347077) has the molecular formula C174H117N3O3 and a molecular weight of 2297.87 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
PubChem CID157347077
Molecular FormulaC174H117N3O3
Molecular Weight2297.87 g/mol
Exact Mass2295.91
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)c21.CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/3C58H39NO/c1-57(2)47-26-9-3-20-40(47)44-23-15-24-45(55(44)57)42-21-7-13-30-52(42)59(53-31-16-25-46-43-22-8-14-32-54(43)60-56(46)53)36-33-34-41-39-19-6-12-29-50(39)58(51(41)35-36)48-27-10-4-17-37(48)38-18-5-11-28-49(38)58;1-57(2)48-24-9-3-19-41(48)45-22-15-23-46(56(45)57)43-20-7-13-28-53(43)59(36-31-33-55-47(34-36)44-21-8-14-29-54(44)60-55)37-30-32-42-40-18-6-12-27-51(40)58(52(42)35-37)49-25-10-4-16-38(49)39-17-5-11-26-50(39)58;1-57(2)48-24-9-3-19-41(48)46-22-15-23-47(56(46)57)43-20-7-13-28-53(43)59(37-31-33-45-44-21-8-14-29-54(44)60-55(45)35-37)36-30-32-42-40-18-6-12-27-51(40)58(52(42)34-36)49-25-10-4-16-38(49)39-17-5-11-26-50(39)58/h3*3-35H,1-2H3
InChIKeyBHCDPTDBHFECJN-UHFFFAOYSA-N
XLogP46.12
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002297.87
LogP ≤ 546.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050377
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463071
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022095
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160965633
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463065
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine (CID 157347077) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)c21.CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine?
The InChIKey is BHCDPTDBHFECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C58H39NO/c1-57(2)47-26-9-3-20-40(47)44-23-15-24-45(55(44)57)42-21-7-13-30-52(42)59(53-31-16-25-46-43-22-8-14-32-54(43)60-56(46)53)36-33-34-41-39-19-6-12-29-50(39)58(51(41)35-36)48-27-10-4-17-37(48)38-18-5-11-28-49(38)58;1-57(2)48-24-9-3-19-41(48)45-22-15-23-46(56(45)57)43-20-7-13-28-53(43)59(36-31-33-55-47(34-36)44-21-8-14-29-54(44)60-55)37-30-32-42-40-18-6-12-27-51(40)58(52(42)35-37)49-25-10-4-16-38(49)39-17-5-11-26-50(39)58;1-57(2)48-24-9-3-19-41(48)46-22-15-23-47(56(46)57)43-20-7-13-28-53(43)59(37-31-33-45-44-21-8-14-29-54(44)60-55(45)35-37)36-30-32-42-40-18-6-12-27-51(40)58(52(42)34-36)49-25-10-4-16-38(49)39-17-5-11-26-50(39)58/h3*3-35H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine has a molecular weight of 2297.87 g/mol, XLogP of 46.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 157347077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).