2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C70H65N — CID 170141214

IUPAC2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3ccccc3-c3ccccc3)c1-2
InChIInChI=1S/C70H65N/c1-66(2,3)45-34-38-56-59(40-45)69(10,11)58-29-21-27-55(65(56)58)54-26-17-20-31-64(54)71(63-30-19-16-24-49(63)44-22-13-12-14-23-44)48-35-39-53-50-25-15-18-28-57(50)70(62(53)43-48)60-41-46(67(4,5)6)32-36-51(60)52-37-33-47(42-61(52)70)68(7,8)9/h12-43H,1-11H3
InChIKeyYYCYPVRVIWMXFV-UHFFFAOYSA-N
MW920.30 g/mol
LogP19.03
Rot. Bonds5

About 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170141214) has the molecular formula C70H65N and a molecular weight of 920.30 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID170141214
Molecular FormulaC70H65N
Molecular Weight920.30 g/mol
Exact Mass919.51
IUPAC Name2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3ccccc3-c3ccccc3)c1-2
InChIInChI=1S/C70H65N/c1-66(2,3)45-34-38-56-59(40-45)69(10,11)58-29-21-27-55(65(56)58)54-26-17-20-31-64(54)71(63-30-19-16-24-49(63)44-22-13-12-14-23-44)48-35-39-53-50-25-15-18-28-57(50)70(62(53)43-48)60-41-46(67(4,5)6)32-36-51(60)52-37-33-47(42-61(52)70)68(7,8)9/h12-43H,1-11H3
InChIKeyYYCYPVRVIWMXFV-UHFFFAOYSA-N
XLogP19.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.30
LogP ≤ 519.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
N-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170304818
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 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) is 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3ccccc3-c3ccccc3)c1-2.
What is the InChIKey of 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is YYCYPVRVIWMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H65N/c1-66(2,3)45-34-38-56-59(40-45)69(10,11)58-29-21-27-55(65(56)58)54-26-17-20-31-64(54)71(63-30-19-16-24-49(63)44-22-13-12-14-23-44)48-35-39-53-50-25-15-18-28-57(50)70(62(53)43-48)60-41-46(67(4,5)6)32-36-51(60)52-37-33-47(42-61(52)70)68(7,8)9/h12-43H,1-11H3.
What are the key properties of 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 920.30 g/mol, XLogP of 19.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170141214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).