N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine

C279H218N4O2S2 — CID 158057078

IUPACN-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc(N(c5ccc(-c6ccccc6-c6cccc7sc8ccccc8c67)cc5)c5cccc6ccccc56)ccc42)C2CC4CC(C2)CC3C4)cc1
InChIInChI=1S/2C71H55NO.C69H53NS.C68H55NS/c1-4-14-49(15-5-1)50-24-26-51(27-25-50)52-28-33-59(34-29-52)72(60-35-30-53(31-36-60)54-32-38-63-62-20-10-13-23-68(62)73-69(63)45-54)61-37-39-66-67(46-61)71(57-41-47-40-48(43-57)44-58(71)42-47)65-22-12-11-21-64(65)70(66,55-16-6-2-7-17-55)56-18-8-3-9-19-56;1-4-17-49(18-5-1)50-31-35-56(36-32-50)72(57-37-33-51(34-38-57)59-23-10-11-24-60(59)61-26-16-30-68-69(61)62-25-12-15-29-67(62)73-68)58-39-40-65-66(46-58)71(54-42-47-41-48(44-54)45-55(71)43-47)64-28-14-13-27-63(64)70(65,52-19-6-2-7-20-52)53-21-8-3-9-22-53;1-3-19-49(20-4-1)68(50-21-5-2-6-22-50)60-28-12-13-29-61(60)69(51-40-45-39-46(42-51)43-52(69)41-45)63-44-54(37-38-62(63)68)70(64-30-15-18-47-17-7-8-24-56(47)64)53-35-33-48(34-36-53)55-23-9-10-25-57(55)58-27-16-32-66-67(58)59-26-11-14-31-65(59)71-66;1-66(2)58-27-11-9-23-54(58)55-33-31-51(41-62(55)66)69(50-22-15-17-45(40-50)53-25-16-26-57-56-24-10-14-30-64(56)70-65(53)57)52-32-34-61-63(42-52)68(48-36-43-35-44(38-48)39-49(68)37-43)60-29-13-12-28-59(60)67(61,46-18-5-3-6-19-46)47-20-7-4-8-21-47/h1-39,45-48,57-58H,40-44H2;1-40,46-48,54-55H,41-45H2;1-38,44-46,51-52H,39-43H2;3-34,40-44,48-49H,35-39H2,1-2H3
InChIKeyFKEMYJIXQGLBFR-UHFFFAOYSA-N
MW3722.97 g/mol
LogP73.38
Rot. Bonds29

About N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine

N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine (PubChem CID 158057078) has the molecular formula C279H218N4O2S2 and a molecular weight of 3722.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine
PubChem CID158057078
Molecular FormulaC279H218N4O2S2
Molecular Weight3722.97 g/mol
Exact Mass3719.65
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc(N(c5ccc(-c6ccccc6-c6cccc7sc8ccccc8c67)cc5)c5cccc6ccccc56)ccc42)C2CC4CC(C2)CC3C4)cc1
InChIInChI=1S/2C71H55NO.C69H53NS.C68H55NS/c1-4-14-49(15-5-1)50-24-26-51(27-25-50)52-28-33-59(34-29-52)72(60-35-30-53(31-36-60)54-32-38-63-62-20-10-13-23-68(62)73-69(63)45-54)61-37-39-66-67(46-61)71(57-41-47-40-48(43-57)44-58(71)42-47)65-22-12-11-21-64(65)70(66,55-16-6-2-7-17-55)56-18-8-3-9-19-56;1-4-17-49(18-5-1)50-31-35-56(36-32-50)72(57-37-33-51(34-38-57)59-23-10-11-24-60(59)61-26-16-30-68-69(61)62-25-12-15-29-67(62)73-68)58-39-40-65-66(46-58)71(54-42-47-41-48(44-54)45-55(71)43-47)64-28-14-13-27-63(64)70(65,52-19-6-2-7-20-52)53-21-8-3-9-22-53;1-3-19-49(20-4-1)68(50-21-5-2-6-22-50)60-28-12-13-29-61(60)69(51-40-45-39-46(42-51)43-52(69)41-45)63-44-54(37-38-62(63)68)70(64-30-15-18-47-17-7-8-24-56(47)64)53-35-33-48(34-36-53)55-23-9-10-25-57(55)58-27-16-32-66-67(58)59-26-11-14-31-65(59)71-66;1-66(2)58-27-11-9-23-54(58)55-33-31-51(41-62(55)66)69(50-22-15-17-45(40-50)53-25-16-26-57-56-24-10-14-30-64(56)70-65(53)57)52-32-34-61-63(42-52)68(48-36-43-35-44(38-48)39-49(68)37-43)60-29-13-12-28-59(60)67(61,46-18-5-3-6-19-46)47-20-7-4-8-21-47/h1-39,45-48,57-58H,40-44H2;1-40,46-48,54-55H,41-45H2;1-38,44-46,51-52H,39-43H2;3-34,40-44,48-49H,35-39H2,1-2H3
InChIKeyFKEMYJIXQGLBFR-UHFFFAOYSA-N
XLogP73.38
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms287
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003722.97
LogP ≤ 573.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine 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

N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine
CID 161276170
N-(4-carbazol-9-ylphenyl)-N,9',9'-triphenylspiro[adamantane-2,10'-anthracene]-2'-amine;N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine
CID 158683884
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158696745
N-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159250991
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
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-(4-dibenzofuran-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163702673
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)dibenzofuran-3-amine;N,4-diphenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-3-amine
CID 159942017
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-1'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 163954974
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
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
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)dibenzothiophen-2-amine;N-(4-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 158275834

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine (CID 158057078) is N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc(N(c5ccc(-c6ccccc6-c6cccc7sc8ccccc8c67)cc5)c5cccc6ccccc56)ccc42)C2CC4CC(C2)CC3C4)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine?
The InChIKey is FKEMYJIXQGLBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C71H55NO.C69H53NS.C68H55NS/c1-4-14-49(15-5-1)50-24-26-51(27-25-50)52-28-33-59(34-29-52)72(60-35-30-53(31-36-60)54-32-38-63-62-20-10-13-23-68(62)73-69(63)45-54)61-37-39-66-67(46-61)71(57-41-47-40-48(43-57)44-58(71)42-47)65-22-12-11-21-64(65)70(66,55-16-6-2-7-17-55)56-18-8-3-9-19-56;1-4-17-49(18-5-1)50-31-35-56(36-32-50)72(57-37-33-51(34-38-57)59-23-10-11-24-60(59)61-26-16-30-68-69(61)62-25-12-15-29-67(62)73-68)58-39-40-65-66(46-58)71(54-42-47-41-48(44-54)45-55(71)43-47)64-28-14-13-27-63(64)70(65,52-19-6-2-7-20-52)53-21-8-3-9-22-53;1-3-19-49(20-4-1)68(50-21-5-2-6-22-50)60-28-12-13-29-61(60)69(51-40-45-39-46(42-51)43-52(69)41-45)63-44-54(37-38-62(63)68)70(64-30-15-18-47-17-7-8-24-56(47)64)53-35-33-48(34-36-53)55-23-9-10-25-57(55)58-27-16-32-66-67(58)59-26-11-14-31-65(59)71-66;1-66(2)58-27-11-9-23-54(58)55-33-31-51(41-62(55)66)69(50-22-15-17-45(40-50)53-25-16-26-57-56-24-10-14-30-64(56)70-65(53)57)52-32-34-61-63(42-52)68(48-36-43-35-44(38-48)39-49(68)37-43)60-29-13-12-28-59(60)67(61,46-18-5-3-6-19-46)47-20-7-4-8-21-47/h1-39,45-48,57-58H,40-44H2;1-40,46-48,54-55H,41-45H2;1-38,44-46,51-52H,39-43H2;3-34,40-44,48-49H,35-39H2,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine?
N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine has a molecular weight of 3722.97 g/mol, XLogP of 73.38, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine is sourced from PubChem (CID 158057078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).