2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine

C63H57N — CID 142508986

IUPAC2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2cccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C63H57N/c1-59(2,3)38-26-30-47-48-31-27-39(60(4,5)6)35-56(48)63(55(47)34-38)52-24-16-13-20-44(52)49-21-17-25-57(58(49)63)64(40-28-32-45-42-18-11-14-22-50(42)61(7,8)53(45)36-40)41-29-33-46-43-19-12-15-23-51(43)62(9,10)54(46)37-41/h11-37H,1-10H3
InChIKeyCKPTUCHEQOKQLD-UHFFFAOYSA-N
MW828.16 g/mol
LogP16.71
Rot. Bonds3

About 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine

2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 142508986) has the molecular formula C63H57N and a molecular weight of 828.16 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID142508986
Molecular FormulaC63H57N
Molecular Weight828.16 g/mol
Exact Mass827.45
IUPAC Name2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2cccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C63H57N/c1-59(2,3)38-26-30-47-48-31-27-39(60(4,5)6)35-56(48)63(55(47)34-38)52-24-16-13-20-44(52)49-21-17-25-57(58(49)63)64(40-28-32-45-42-18-11-14-22-50(42)61(7,8)53(45)36-40)41-29-33-46-43-19-12-15-23-51(43)62(9,10)54(46)37-41/h11-37H,1-10H3
InChIKeyCKPTUCHEQOKQLD-UHFFFAOYSA-N
XLogP16.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.16
LogP ≤ 516.71
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-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 146542310
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 142508836
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
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
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-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138476291
N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067110
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(8-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309727

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine (CID 142508986) is 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2cccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c21.
What is the InChIKey of 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is CKPTUCHEQOKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H57N/c1-59(2,3)38-26-30-47-48-31-27-39(60(4,5)6)35-56(48)63(55(47)34-38)52-24-16-13-20-44(52)49-21-17-25-57(58(49)63)64(40-28-32-45-42-18-11-14-22-50(42)61(7,8)53(45)36-40)41-29-33-46-43-19-12-15-23-51(43)62(9,10)54(46)37-41/h11-37H,1-10H3.
What are the key properties of 2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine?
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 828.16 g/mol, XLogP of 16.71, 3 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,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 142508986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).