N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine

C67H65B2NO4 — CID 142382490

IUPACN,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine
SMILESC=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1c(N(c3ccc4c(c3)C(C)(C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cccc12
InChIInChI=1S/C67H65B2NO4/c1-15-44-45-22-17-19-24-52(45)67(51(44)16-2)53-25-20-18-23-50(53)60-54(67)26-21-27-59(60)70(42-30-34-48-46-32-28-40(36-55(46)61(3,4)57(48)38-42)68-71-63(7,8)64(9,10)72-68)43-31-35-49-47-33-29-41(37-56(47)62(5,6)58(49)39-43)69-73-65(11,12)66(13,14)74-69/h15-39H,1-2H2,3-14H3
InChIKeyPTHIUGKCOCFDLC-UHFFFAOYSA-N
MW969.88 g/mol
LogP14.82
Rot. Bonds7

About N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine

N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine (PubChem CID 142382490) has the molecular formula C67H65B2NO4 and a molecular weight of 969.88 g/mol. Its IUPAC name is N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine.

Molecular Properties

Compound NameN,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine
PubChem CID142382490
Molecular FormulaC67H65B2NO4
Molecular Weight969.88 g/mol
Exact Mass969.51
IUPAC NameN,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine
SMILESC=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1c(N(c3ccc4c(c3)C(C)(C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cccc12
InChIInChI=1S/C67H65B2NO4/c1-15-44-45-22-17-19-24-52(45)67(51(44)16-2)53-25-20-18-23-50(53)60-54(67)26-21-27-59(60)70(42-30-34-48-46-32-28-40(36-55(46)61(3,4)57(48)38-42)68-71-63(7,8)64(9,10)72-68)43-31-35-49-47-33-29-41(37-56(47)62(5,6)58(49)39-43)69-73-65(11,12)66(13,14)74-69/h15-39H,1-2H2,3-14H3
InChIKeyPTHIUGKCOCFDLC-UHFFFAOYSA-N
XLogP14.82
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.88
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 139340690
N-phenyl-N-(4-phenylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153294243
N-(2-phenylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 140917378
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
4,4,5,5-tetramethyl-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,2-dioxaborolane
CID 155639948
3-N-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-5-chloro-1-N,1-N,3-N-tris(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 139541052
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
4,4,5,5-tetramethyl-2-[17'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]-1,3,2-dioxaborolane
CID 153279818
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886

Frequently Asked Questions

What is the IUPAC name of N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine?
The IUPAC name of N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine (CID 142382490) is N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine.
What is the SMILES notation for N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine?
The canonical SMILES for N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine is C=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1c(N(c3ccc4c(c3)C(C)(C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cccc12.
What is the InChIKey of N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine?
The InChIKey is PTHIUGKCOCFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H65B2NO4/c1-15-44-45-22-17-19-24-52(45)67(51(44)16-2)53-25-20-18-23-50(53)60-54(67)26-21-27-59(60)70(42-30-34-48-46-32-28-40(36-55(46)61(3,4)57(48)38-42)68-71-63(7,8)64(9,10)72-68)43-31-35-49-47-33-29-41(37-56(47)62(5,6)58(49)39-43)69-73-65(11,12)66(13,14)74-69/h15-39H,1-2H2,3-14H3.
What are the key properties of N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine?
N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine has a molecular weight of 969.88 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-4-amine is sourced from PubChem (CID 142382490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).