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

C153H125N3OS — CID 159942017

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C55H45NO.C52H41NS.C46H39N/c1-54(2)47-14-6-3-10-42(47)43-24-22-39(31-50(43)54)56(40-23-25-45-44-11-5-8-17-51(44)57-52(45)32-40)38-20-18-35(19-21-38)41-13-9-16-49-53(41)46-12-4-7-15-48(46)55(49)36-27-33-26-34(29-36)30-37(55)28-33;1-2-11-35(12-3-1)41-13-5-8-19-48(41)53(40-25-26-44-43-14-6-9-20-49(43)54-50(44)32-40)39-23-21-36(22-24-39)42-16-10-18-47-51(42)45-15-4-7-17-46(45)52(47)37-28-33-27-34(30-37)31-38(52)29-33;1-3-10-33(11-4-1)34-18-22-39(23-19-34)47(38-12-5-2-6-13-38)40-24-20-35(21-25-40)41-15-9-17-44-45(41)42-14-7-8-16-43(42)46(44)36-27-31-26-32(29-36)30-37(46)28-31/h3-25,31-34,36-37H,26-30H2,1-2H3;1-26,32-34,37-38H,27-31H2;1-25,31-32,36-37H,26-30H2
InChIKeyOAZPHQBDIQXZEM-UHFFFAOYSA-N
MW2053.77 g/mol
LogP41.55
Rot. Bonds14

About 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

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 (PubChem CID 159942017) has the molecular formula C153H125N3OS and a molecular weight of 2053.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159942017
Molecular FormulaC153H125N3OS
Molecular Weight2053.77 g/mol
Exact Mass2051.95
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C55H45NO.C52H41NS.C46H39N/c1-54(2)47-14-6-3-10-42(47)43-24-22-39(31-50(43)54)56(40-23-25-45-44-11-5-8-17-51(44)57-52(45)32-40)38-20-18-35(19-21-38)41-13-9-16-49-53(41)46-12-4-7-15-48(46)55(49)36-27-33-26-34(29-36)30-37(55)28-33;1-2-11-35(12-3-1)41-13-5-8-19-48(41)53(40-25-26-44-43-14-6-9-20-49(43)54-50(44)32-40)39-23-21-36(22-24-39)42-16-10-18-47-51(42)45-15-4-7-17-46(45)52(47)37-28-33-27-34(30-37)31-38(52)29-33;1-3-10-33(11-4-1)34-18-22-39(23-19-34)47(38-12-5-2-6-13-38)40-24-20-35(21-25-40)41-15-9-17-44-45(41)42-14-7-8-16-43(42)46(44)36-27-31-26-32(29-36)30-37(46)28-31/h3-25,31-34,36-37H,26-30H2,1-2H3;1-26,32-34,37-38H,27-31H2;1-25,31-32,36-37H,26-30H2
InChIKeyOAZPHQBDIQXZEM-UHFFFAOYSA-N
XLogP41.55
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002053.77
LogP ≤ 541.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine
CID 159080840
N-(9,9-dimethylfluoren-2-yl)-N-(5'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)dibenzothiophen-3-amine
CID 170085177
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-(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,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387
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,N-bis(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 158937310
N,N-diphenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine
CID 163764873
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
CID 167056502
3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157361059
N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 163870746

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is OAZPHQBDIQXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NO.C52H41NS.C46H39N/c1-54(2)47-14-6-3-10-42(47)43-24-22-39(31-50(43)54)56(40-23-25-45-44-11-5-8-17-51(44)57-52(45)32-40)38-20-18-35(19-21-38)41-13-9-16-49-53(41)46-12-4-7-15-48(46)55(49)36-27-33-26-34(29-36)30-37(55)28-33;1-2-11-35(12-3-1)41-13-5-8-19-48(41)53(40-25-26-44-43-14-6-9-20-49(43)54-50(44)32-40)39-23-21-36(22-24-39)42-16-10-18-47-51(42)45-15-4-7-17-46(45)52(47)37-28-33-27-34(30-37)31-38(52)29-33;1-3-10-33(11-4-1)34-18-22-39(23-19-34)47(38-12-5-2-6-13-38)40-24-20-35(21-25-40)41-15-9-17-44-45(41)42-14-7-8-16-43(42)46(44)36-27-31-26-32(29-36)30-37(46)28-31/h3-25,31-34,36-37H,26-30H2,1-2H3;1-26,32-34,37-38H,27-31H2;1-25,31-32,36-37H,26-30H2.
What are the key properties of 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?
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 has a molecular weight of 2053.77 g/mol, XLogP of 41.55, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159942017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).