6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine

C63H59N — CID 177067734

IUPAC6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1ccccc1)c1c-2cccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C63H59N/c1-59(2,3)42-36-50-49-28-21-31-56(58(49)63(40-22-13-11-14-23-40,41-24-15-12-16-25-41)57(50)55(37-42)60(4,5)6)64(43-32-34-47-45-26-17-19-29-51(45)61(7,8)53(47)38-43)44-33-35-48-46-27-18-20-30-52(46)62(9,10)54(48)39-44/h11-39H,1-10H3
InChIKeyYWGSPFGVVNMLIK-UHFFFAOYSA-N
MW830.17 g/mol
LogP16.73
Rot. Bonds5

About 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine

6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine (PubChem CID 177067734) has the molecular formula C63H59N and a molecular weight of 830.17 g/mol. Its IUPAC name is 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
PubChem CID177067734
Molecular FormulaC63H59N
Molecular Weight830.17 g/mol
Exact Mass829.46
IUPAC Name6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1ccccc1)c1c-2cccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C63H59N/c1-59(2,3)42-36-50-49-28-21-31-56(58(49)63(40-22-13-11-14-23-40,41-24-15-12-16-25-41)57(50)55(37-42)60(4,5)6)64(43-32-34-47-45-26-17-19-29-51(45)61(7,8)53(47)38-43)44-33-35-48-46-27-18-20-30-52(46)62(9,10)54(48)39-44/h11-39H,1-10H3
InChIKeyYWGSPFGVVNMLIK-UHFFFAOYSA-N
XLogP16.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.17
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 176605499
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-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
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-phenylfluoren-4-amine
CID 177067969
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 166464490
2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
CID 176821721
7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751052
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
7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176751030
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

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine?
The IUPAC name of 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine (CID 177067734) is 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine.
What is the SMILES notation for 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine?
The canonical SMILES for 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1ccccc1)c1c-2cccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine?
The InChIKey is YWGSPFGVVNMLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59N/c1-59(2,3)42-36-50-49-28-21-31-56(58(49)63(40-22-13-11-14-23-40,41-24-15-12-16-25-41)57(50)55(37-42)60(4,5)6)64(43-32-34-47-45-26-17-19-29-51(45)61(7,8)53(47)38-43)44-33-35-48-46-27-18-20-30-52(46)62(9,10)54(48)39-44/h11-39H,1-10H3.
What are the key properties of 6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine?
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine has a molecular weight of 830.17 g/mol, XLogP of 16.73, 5 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,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine is sourced from PubChem (CID 177067734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).