N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine

C290H225N5O5 — CID 163638025

IUPACN,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cccc5c34)cc2)cc1
InChIInChI=1S/5C58H45NO/c1-3-11-39(12-4-1)41-21-26-46(27-22-41)59(47-28-23-42(24-29-47)40-13-5-2-6-14-40)54-19-10-20-55-56(54)50-17-9-16-48(57(50)60-55)43-25-30-53-51(36-43)49-15-7-8-18-52(49)58(53)44-32-37-31-38(34-44)35-45(58)33-37;1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-52-51-28-22-43(35-55(51)60-56(52)36-48)49-15-9-16-53-50-14-7-8-17-54(50)58(57(49)53)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-27-52-51-26-19-44(35-56(51)60-57(52)36-49)43-20-28-55-53(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-56-53(36-49)52-27-20-44(35-57(52)60-56)43-19-26-51-50-13-7-8-14-54(50)58(55(51)34-43)45-30-37-29-38(32-45)33-46(58)31-37/h1-30,36-38,44-45H,31-35H2;1-29,35-38,44-45H,30-34H2;3*1-28,34-38,45-46H,29-33H2
InChIKeyIBWKJODYJSUNDP-UHFFFAOYSA-N
MW3860.02 g/mol
LogP78.90
Rot. Bonds30

About N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine

N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine (PubChem CID 163638025) has the molecular formula C290H225N5O5 and a molecular weight of 3860.02 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
PubChem CID163638025
Molecular FormulaC290H225N5O5
Molecular Weight3860.02 g/mol
Exact Mass3856.75
IUPAC NameN,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cccc5c34)cc2)cc1
InChIInChI=1S/5C58H45NO/c1-3-11-39(12-4-1)41-21-26-46(27-22-41)59(47-28-23-42(24-29-47)40-13-5-2-6-14-40)54-19-10-20-55-56(54)50-17-9-16-48(57(50)60-55)43-25-30-53-51(36-43)49-15-7-8-18-52(49)58(53)44-32-37-31-38(34-44)35-45(58)33-37;1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-52-51-28-22-43(35-55(51)60-56(52)36-48)49-15-9-16-53-50-14-7-8-17-54(50)58(57(49)53)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-27-52-51-26-19-44(35-56(51)60-57(52)36-49)43-20-28-55-53(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-56-53(36-49)52-27-20-44(35-57(52)60-56)43-19-26-51-50-13-7-8-14-54(50)58(55(51)34-43)45-30-37-29-38(32-45)33-46(58)31-37/h1-30,36-38,44-45H,31-35H2;1-29,35-38,44-45H,30-34H2;3*1-28,34-38,45-46H,29-33H2
InChIKeyIBWKJODYJSUNDP-UHFFFAOYSA-N
XLogP78.90
TPSA81.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms300
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003860.02
LogP ≤ 578.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine (CID 163638025) is N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cccc5c34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine?
The InChIKey is IBWKJODYJSUNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C58H45NO/c1-3-11-39(12-4-1)41-21-26-46(27-22-41)59(47-28-23-42(24-29-47)40-13-5-2-6-14-40)54-19-10-20-55-56(54)50-17-9-16-48(57(50)60-55)43-25-30-53-51(36-43)49-15-7-8-18-52(49)58(53)44-32-37-31-38(34-44)35-45(58)33-37;1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-52-51-28-22-43(35-55(51)60-56(52)36-48)49-15-9-16-53-50-14-7-8-17-54(50)58(57(49)53)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-27-52-51-26-19-44(35-56(51)60-57(52)36-49)43-20-28-55-53(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-56-53(36-49)52-27-20-44(35-57(52)60-56)43-19-26-51-50-13-7-8-14-54(50)58(55(51)34-43)45-30-37-29-38(32-45)33-46(58)31-37/h1-30,36-38,44-45H,31-35H2;1-29,35-38,44-45H,30-34H2;3*1-28,34-38,45-46H,29-33H2.
What are the key properties of N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine?
N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine has a molecular weight of 3860.02 g/mol, XLogP of 78.90, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine is sourced from PubChem (CID 163638025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).