2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C64H61N — CID 146542310

IUPAC2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCCc1ccccc1-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3c2C2(c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc42)c2ccccc2-3)cc1CC
InChIInChI=1S/C64H61N/c1-11-40-20-13-14-21-46(40)47-34-30-44(36-41(47)12-2)65(45-31-35-50-48-22-15-17-25-54(48)63(9,10)56(50)39-45)59-27-19-24-53-49-23-16-18-26-55(49)64(60(53)59)57-37-42(61(3,4)5)28-32-51(57)52-33-29-43(38-58(52)64)62(6,7)8/h13-39H,11-12H2,1-10H3
InChIKeyOOGIXYHVMQMHJX-UHFFFAOYSA-N
MW844.20 g/mol
LogP17.19
Rot. Bonds6

About 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 146542310) has the molecular formula C64H61N and a molecular weight of 844.20 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID146542310
Molecular FormulaC64H61N
Molecular Weight844.20 g/mol
Exact Mass843.48
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCCc1ccccc1-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3c2C2(c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc42)c2ccccc2-3)cc1CC
InChIInChI=1S/C64H61N/c1-11-40-20-13-14-21-46(40)47-34-30-44(36-41(47)12-2)65(45-31-35-50-48-22-15-17-25-54(48)63(9,10)56(50)39-45)59-27-19-24-53-49-23-16-18-26-55(49)64(60(53)59)57-37-42(61(3,4)5)28-32-51(57)52-33-29-43(38-58(52)64)62(6,7)8/h13-39H,11-12H2,1-10H3
InChIKeyOOGIXYHVMQMHJX-UHFFFAOYSA-N
XLogP17.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.20
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
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
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
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-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158619855
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-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138476291
N-[4-[4-(N-[3-ethyl-4-(2-ethylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156525007

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of 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) is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is CCc1ccccc1-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3c2C2(c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc42)c2ccccc2-3)cc1CC.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is OOGIXYHVMQMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N/c1-11-40-20-13-14-21-46(40)47-34-30-44(36-41(47)12-2)65(45-31-35-50-48-22-15-17-25-54(48)63(9,10)56(50)39-45)59-27-19-24-53-49-23-16-18-26-55(49)64(60(53)59)57-37-42(61(3,4)5)28-32-51(57)52-33-29-43(38-58(52)64)62(6,7)8/h13-39H,11-12H2,1-10H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 844.20 g/mol, XLogP of 17.19, 6 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-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 146542310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).