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

C110H90N2OS — CID 163954974

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C55H45NO.C55H45NS/c2*1-54(2)47-14-6-3-10-41(47)43-25-23-40(32-49(43)54)56(39-21-18-35(19-22-39)36-20-24-45-44-12-5-8-17-51(44)57-52(45)31-36)50-16-9-13-46-42-11-4-7-15-48(42)55(53(46)50)37-27-33-26-34(29-37)30-38(55)28-33/h2*3-25,31-34,37-38H,26-30H2,1-2H3
InChIKeySCOJSBRPEYZCGX-UHFFFAOYSA-N
MW1488.01 g/mol
LogP29.97
Rot. Bonds8

About 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

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 (PubChem CID 163954974) has the molecular formula C110H90N2OS and a molecular weight of 1488.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163954974
Molecular FormulaC110H90N2OS
Molecular Weight1488.01 g/mol
Exact Mass1486.68
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C55H45NO.C55H45NS/c2*1-54(2)47-14-6-3-10-41(47)43-25-23-40(32-49(43)54)56(39-21-18-35(19-22-39)36-20-24-45-44-12-5-8-17-51(44)57-52(45)31-36)50-16-9-13-46-42-11-4-7-15-48(42)55(53(46)50)37-27-33-26-34(29-37)30-38(55)28-33/h2*3-25,31-34,37-38H,26-30H2,1-2H3
InChIKeySCOJSBRPEYZCGX-UHFFFAOYSA-N
XLogP29.97
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001488.01
LogP ≤ 529.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-(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-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
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 161073329
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(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)-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
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-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-7-amine
CID 171050290
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of 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?
The InChIKey is SCOJSBRPEYZCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NO.C55H45NS/c2*1-54(2)47-14-6-3-10-41(47)43-25-23-40(32-49(43)54)56(39-21-18-35(19-22-39)36-20-24-45-44-12-5-8-17-51(44)57-52(45)31-36)50-16-9-13-46-42-11-4-7-15-48(42)55(53(46)50)37-27-33-26-34(29-37)30-38(55)28-33/h2*3-25,31-34,37-38H,26-30H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1488.01 g/mol, XLogP of 29.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163954974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).