4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine

C244H156N8O3S3 — CID 158402025

IUPAC4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C61H38N2O2.C61H38N2OS.2C61H40N2S/c1-3-16-39(17-4-1)62(41-31-34-58-49(36-41)46-21-9-13-28-56(46)64-58)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-32-35-59-50(37-42)47-22-10-14-29-57(47)65-59;1-3-16-39(17-4-1)62(41-32-35-59-50(37-41)47-22-10-14-29-58(47)65-59)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-31-34-57-49(36-42)46-21-9-13-28-56(46)64-57;1-4-18-41(19-5-1)42-20-16-25-45(38-42)62(43-21-6-2-7-22-43)47-34-36-49-48-26-10-13-29-53(48)61(56(49)40-47)54-30-14-11-28-51(54)60-55(61)31-17-32-57(60)63(44-23-8-3-9-24-44)46-35-37-59-52(39-46)50-27-12-15-33-58(50)64-59;1-4-17-41(18-5-1)42-31-33-45(34-32-42)62(43-19-6-2-7-20-43)47-35-37-49-48-23-10-13-26-53(48)61(56(49)40-47)54-27-14-11-25-51(54)60-55(61)28-16-29-57(60)63(44-21-8-3-9-22-44)46-36-38-59-52(39-46)50-24-12-15-30-58(50)64-59/h2*1-38H;2*1-40H
InChIKeyGYFKDWIIOZOLIG-UHFFFAOYSA-N
MW3344.19 g/mol
LogP68.01
Rot. Bonds26

About 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine

4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine (PubChem CID 158402025) has the molecular formula C244H156N8O3S3 and a molecular weight of 3344.19 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
PubChem CID158402025
Molecular FormulaC244H156N8O3S3
Molecular Weight3344.19 g/mol
Exact Mass3341.15
IUPAC Name4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C61H38N2O2.C61H38N2OS.2C61H40N2S/c1-3-16-39(17-4-1)62(41-31-34-58-49(36-41)46-21-9-13-28-56(46)64-58)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-32-35-59-50(37-42)47-22-10-14-29-57(47)65-59;1-3-16-39(17-4-1)62(41-32-35-59-50(37-41)47-22-10-14-29-58(47)65-59)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-31-34-57-49(36-42)46-21-9-13-28-56(46)64-57;1-4-18-41(19-5-1)42-20-16-25-45(38-42)62(43-21-6-2-7-22-43)47-34-36-49-48-26-10-13-29-53(48)61(56(49)40-47)54-30-14-11-28-51(54)60-55(61)31-17-32-57(60)63(44-23-8-3-9-24-44)46-35-37-59-52(39-46)50-27-12-15-33-58(50)64-59;1-4-17-41(18-5-1)42-31-33-45(34-32-42)62(43-19-6-2-7-20-43)47-35-37-49-48-23-10-13-26-53(48)61(56(49)40-47)54-27-14-11-25-51(54)60-55(61)28-16-29-57(60)63(44-21-8-3-9-22-44)46-36-38-59-52(39-46)50-24-12-15-30-58(50)64-59/h2*1-38H;2*1-40H
InChIKeyGYFKDWIIOZOLIG-UHFFFAOYSA-N
XLogP68.01
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms258
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003344.19
LogP ≤ 568.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine (CID 158402025) is 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cccc43)c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cccc32)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
The InChIKey is GYFKDWIIOZOLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O2.C61H38N2OS.2C61H40N2S/c1-3-16-39(17-4-1)62(41-31-34-58-49(36-41)46-21-9-13-28-56(46)64-58)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-32-35-59-50(37-42)47-22-10-14-29-57(47)65-59;1-3-16-39(17-4-1)62(41-32-35-59-50(37-41)47-22-10-14-29-58(47)65-59)43-30-33-45-44-20-7-11-24-51(44)61(54(45)38-43)52-25-12-8-23-48(52)60-53(61)26-15-27-55(60)63(40-18-5-2-6-19-40)42-31-34-57-49(36-42)46-21-9-13-28-56(46)64-57;1-4-18-41(19-5-1)42-20-16-25-45(38-42)62(43-21-6-2-7-22-43)47-34-36-49-48-26-10-13-29-53(48)61(56(49)40-47)54-30-14-11-28-51(54)60-55(61)31-17-32-57(60)63(44-23-8-3-9-24-44)46-35-37-59-52(39-46)50-27-12-15-33-58(50)64-59;1-4-17-41(18-5-1)42-31-33-45(34-32-42)62(43-19-6-2-7-20-43)47-35-37-49-48-23-10-13-26-53(48)61(56(49)40-47)54-27-14-11-25-51(54)60-55(61)28-16-29-57(60)63(44-21-8-3-9-22-44)46-36-38-59-52(39-46)50-24-12-15-30-58(50)64-59/h2*1-38H;2*1-40H.
What are the key properties of 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine has a molecular weight of 3344.19 g/mol, XLogP of 68.01, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine is sourced from PubChem (CID 158402025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).