6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C60H53N — CID 168750154

IUPAC6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc1-2
InChIInChI=1S/C60H53N/c1-57(2,3)39-34-48-47-33-31-41(37-53(47)60(56(48)54(35-39)58(4,5)6)50-27-17-13-24-44(50)45-25-14-18-28-51(45)60)61(55-29-19-15-22-42(55)38-20-10-9-11-21-38)40-30-32-46-43-23-12-16-26-49(43)59(7,8)52(46)36-40/h9-37H,1-8H3
InChIKeyHZDRBGUQAZAOBI-UHFFFAOYSA-N
MW788.09 g/mol
LogP16.07
Rot. Bonds4

About 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 168750154) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID168750154
Molecular FormulaC60H53N
Molecular Weight788.09 g/mol
Exact Mass787.42
IUPAC Name6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc1-2
InChIInChI=1S/C60H53N/c1-57(2,3)39-34-48-47-33-31-41(37-53(47)60(56(48)54(35-39)58(4,5)6)50-27-17-13-24-44(50)45-25-14-18-28-51(45)60)61(55-29-19-15-22-42(55)38-20-10-9-11-21-38)40-30-32-46-43-23-12-16-26-49(43)59(7,8)52(46)36-40/h9-37H,1-8H3
InChIKeyHZDRBGUQAZAOBI-UHFFFAOYSA-N
XLogP16.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.09
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
CID 163768086
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N,N-bis(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-4-amine;1',3'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;9,9-diphenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]fluoren-2-amine
CID 159189372
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine
CID 176605468
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 176605499
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 177067969

Frequently Asked Questions

What is the IUPAC name of 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 168750154) is 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc1-2.
What is the InChIKey of 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is HZDRBGUQAZAOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N/c1-57(2,3)39-34-48-47-33-31-41(37-53(47)60(56(48)54(35-39)58(4,5)6)50-27-17-13-24-44(50)45-25-14-18-28-51(45)60)61(55-29-19-15-22-42(55)38-20-10-9-11-21-38)40-30-32-46-43-23-12-16-26-49(43)59(7,8)52(46)36-40/h9-37H,1-8H3.
What are the key properties of 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 788.09 g/mol, XLogP of 16.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 168750154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).