N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C67H71N — CID 170449512

IUPACN,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)CCC5(C)C)c3ccc5c(c3)C(C)(C)CCC5(C)C)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C67H71N/c1-61(2)31-34-64(7,8)57-37-42(25-28-53(57)61)48-40-49-47-21-15-18-24-52(47)67(50-22-16-13-19-45(50)46-20-14-17-23-51(46)67)56(49)41-60(48)68(43-26-29-54-58(38-43)65(9,10)35-32-62(54,3)4)44-27-30-55-59(39-44)66(11,12)36-33-63(55,5)6/h13-30,37-41H,31-36H2,1-12H3
InChIKeyHEKUZJKJPVNQPH-UHFFFAOYSA-N
MW890.31 g/mol
LogP18.21
Rot. Bonds4

About N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449512) has the molecular formula C67H71N and a molecular weight of 890.31 g/mol. Its IUPAC name is N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170449512
Molecular FormulaC67H71N
Molecular Weight890.31 g/mol
Exact Mass889.56
IUPAC NameN,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)CCC5(C)C)c3ccc5c(c3)C(C)(C)CCC5(C)C)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C67H71N/c1-61(2)31-34-64(7,8)57-37-42(25-28-53(57)61)48-40-49-47-21-15-18-24-52(47)67(50-22-16-13-19-45(50)46-20-14-17-23-51(46)67)56(49)41-60(48)68(43-26-29-54-58(38-43)65(9,10)35-32-62(54,3)4)44-27-30-55-59(39-44)66(11,12)36-33-63(55,5)6/h13-30,37-41H,31-36H2,1-12H3
InChIKeyHEKUZJKJPVNQPH-UHFFFAOYSA-N
XLogP18.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.31
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445119
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446175
N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447559
N-(4-naphthalen-2-ylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448971
N-phenanthren-9-yl-N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448552
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445039
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170448043
9,9-diphenyl-N-(4-phenylphenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447723
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448170

Frequently Asked Questions

What is the IUPAC name of N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170449512) is N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)CCC5(C)C)c3ccc5c(c3)C(C)(C)CCC5(C)C)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.
What is the InChIKey of N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is HEKUZJKJPVNQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71N/c1-61(2)31-34-64(7,8)57-37-42(25-28-53(57)61)48-40-49-47-21-15-18-24-52(47)67(50-22-16-13-19-45(50)46-20-14-17-23-51(46)67)56(49)41-60(48)68(43-26-29-54-58(38-43)65(9,10)35-32-62(54,3)4)44-27-30-55-59(39-44)66(11,12)36-33-63(55,5)6/h13-30,37-41H,31-36H2,1-12H3.
What are the key properties of N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 890.31 g/mol, XLogP of 18.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).