N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C60H45N — CID 170140987

IUPACN-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCCC1(CC)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C60H45N/c1-3-59(4-2)51-27-13-11-25-50(51)58-49(26-18-31-55(58)59)48-24-12-17-32-57(48)61(42-35-33-41(34-36-42)40-19-6-5-7-20-40)43-37-38-47-46-23-10-16-30-54(46)60(56(47)39-43)52-28-14-8-21-44(52)45-22-9-15-29-53(45)60/h5-39H,3-4H2,1-2H3
InChIKeyITNVFWVJJMFLJO-UHFFFAOYSA-N
MW780.03 g/mol
LogP15.92
Rot. Bonds7

About N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170140987) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID170140987
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC NameN-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCCC1(CC)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C60H45N/c1-3-59(4-2)51-27-13-11-25-50(51)58-49(26-18-31-55(58)59)48-24-12-17-32-57(48)61(42-35-33-41(34-36-42)40-19-6-5-7-20-40)43-37-38-47-46-23-10-16-30-54(46)60(56(47)39-43)52-28-14-8-21-44(52)45-22-9-15-29-53(45)60/h5-39H,3-4H2,1-2H3
InChIKeyITNVFWVJJMFLJO-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140988
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
CID 170143764
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325440
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 170142634
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 170140987) is N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CCC1(CC)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ITNVFWVJJMFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-3-59(4-2)51-27-13-11-25-50(51)58-49(26-18-31-55(58)59)48-24-12-17-32-57(48)61(42-35-33-41(34-36-42)40-19-6-5-7-20-40)43-37-38-47-46-23-10-16-30-54(46)60(56(47)39-43)52-28-14-8-21-44(52)45-22-9-15-29-53(45)60/h5-39H,3-4H2,1-2H3.
What are the key properties of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 780.03 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170140987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).