N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C67H49N — CID 170143670

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc21
InChIInChI=1S/C67H49N/c1-65(2)53-26-11-5-21-47(53)52-41-43(37-40-55(52)65)42-35-38-44(39-36-42)68(61-33-16-10-22-48(61)49-25-17-31-59-63(49)50-23-8-12-27-54(50)66(59,3)4)62-34-18-32-60-64(62)51-24-9-15-30-58(51)67(60)56-28-13-6-19-45(56)46-20-7-14-29-57(46)67/h5-41H,1-4H3
InChIKeyAPKCJJFCXYYDQI-UHFFFAOYSA-N
MW868.14 g/mol
LogP17.45
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 170143670) has the molecular formula C67H49N and a molecular weight of 868.14 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID170143670
Molecular FormulaC67H49N
Molecular Weight868.14 g/mol
Exact Mass867.39
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc21
InChIInChI=1S/C67H49N/c1-65(2)53-26-11-5-21-47(53)52-41-43(37-40-55(52)65)42-35-38-44(39-36-42)68(61-33-16-10-22-48(61)49-25-17-31-59-63(49)50-23-8-12-27-54(50)66(59,3)4)62-34-18-32-60-64(62)51-24-9-15-30-58(51)67(60)56-28-13-6-19-45(56)46-20-7-14-29-57(46)67/h5-41H,1-4H3
InChIKeyAPKCJJFCXYYDQI-UHFFFAOYSA-N
XLogP17.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.14
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170136504
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170143598
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170136312
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142520

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 170143670) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is APKCJJFCXYYDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N/c1-65(2)53-26-11-5-21-47(53)52-41-43(37-40-55(52)65)42-35-38-44(39-36-42)68(61-33-16-10-22-48(61)49-25-17-31-59-63(49)50-23-8-12-27-54(50)66(59,3)4)62-34-18-32-60-64(62)51-24-9-15-30-58(51)67(60)56-28-13-6-19-45(56)46-20-7-14-29-57(46)67/h5-41H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 868.14 g/mol, XLogP of 17.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 170143670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).