3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine

C69H61N — CID 176871110

IUPAC3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)cccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C69H61N/c1-65(2,3)44-37-43(38-45(40-44)66(4,5)6)42-33-36-57-52(39-42)48-22-12-17-27-55(48)69(57)56-28-18-14-24-51(56)64-59(69)30-20-32-62(64)70(46-34-35-49-47-21-11-15-25-53(47)68(9,10)60(49)41-46)61-31-19-29-58-63(61)50-23-13-16-26-54(50)67(58,7)8/h11-41H,1-10H3
InChIKeyIWLVZMZCLDBTPZ-UHFFFAOYSA-N
MW904.25 g/mol
LogP18.37
Rot. Bonds4

About 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine

3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 176871110) has the molecular formula C69H61N and a molecular weight of 904.25 g/mol. Its IUPAC name is 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID176871110
Molecular FormulaC69H61N
Molecular Weight904.25 g/mol
Exact Mass903.48
IUPAC Name3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)cccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C69H61N/c1-65(2,3)44-37-43(38-45(40-44)66(4,5)6)42-33-36-57-52(39-42)48-22-12-17-27-55(48)69(57)56-28-18-14-24-51(56)64-59(69)30-20-32-62(64)70(46-34-35-49-47-21-11-15-25-53(47)68(9,10)60(49)41-46)61-31-19-29-58-63(61)50-23-13-16-26-54(50)67(58,7)8/h11-41H,1-10H3
InChIKeyIWLVZMZCLDBTPZ-UHFFFAOYSA-N
XLogP18.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.25
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170143670
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
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
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 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine (CID 176871110) is 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine is CC(C)(C)c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)cccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is IWLVZMZCLDBTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H61N/c1-65(2,3)44-37-43(38-45(40-44)66(4,5)6)42-33-36-57-52(39-42)48-22-12-17-27-55(48)69(57)56-28-18-14-24-51(56)64-59(69)30-20-32-62(64)70(46-34-35-49-47-21-11-15-25-53(47)68(9,10)60(49)41-46)61-31-19-29-58-63(61)50-23-13-16-26-54(50)67(58,7)8/h11-41H,1-10H3.
What are the key properties of 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 904.25 g/mol, XLogP of 18.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 176871110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).