6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine

C66H59N — CID 163768086

IUPAC6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1cccc(-c3ccccc3)c1)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc1-2
InChIInChI=1S/C66H59N/c1-63(2,3)49-40-56-55-38-36-51(67(61-34-21-19-31-52(61)45-25-14-10-15-26-45)50-35-37-54-53-32-18-20-33-57(53)65(7,8)58(54)42-50)43-59(55)66(47-28-16-11-17-29-47,62(56)60(41-49)64(4,5)6)48-30-22-27-46(39-48)44-23-12-9-13-24-44/h9-43H,1-8H3
InChIKeyUHCWMDRNKXJDFK-UHFFFAOYSA-N
MW866.21 g/mol
LogP17.75
Rot. Bonds7

About 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine (PubChem CID 163768086) has the molecular formula C66H59N and a molecular weight of 866.21 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
PubChem CID163768086
Molecular FormulaC66H59N
Molecular Weight866.21 g/mol
Exact Mass865.46
IUPAC Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1cccc(-c3ccccc3)c1)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc1-2
InChIInChI=1S/C66H59N/c1-63(2,3)49-40-56-55-38-36-51(67(61-34-21-19-31-52(61)45-25-14-10-15-26-45)50-35-37-54-53-32-18-20-33-57(53)65(7,8)58(54)42-50)43-59(55)66(47-28-16-11-17-29-47,62(56)60(41-49)64(4,5)6)48-30-22-27-46(39-48)44-23-12-9-13-24-44/h9-43H,1-8H3
InChIKeyUHCWMDRNKXJDFK-UHFFFAOYSA-N
XLogP17.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.21
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
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
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292
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
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 166464490
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine (CID 163768086) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1cccc(-c3ccccc3)c1)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc1-2.
What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is UHCWMDRNKXJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59N/c1-63(2,3)49-40-56-55-38-36-51(67(61-34-21-19-31-52(61)45-25-14-10-15-26-45)50-35-37-54-53-32-18-20-33-57(53)65(7,8)58(54)42-50)43-59(55)66(47-28-16-11-17-29-47,62(56)60(41-49)64(4,5)6)48-30-22-27-46(39-48)44-23-12-9-13-24-44/h9-43H,1-8H3.
What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine?
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 866.21 g/mol, XLogP of 17.75, 7 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-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 163768086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).