N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C64H45N — CID 135271121

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C64H45N/c1-63(2)54-28-13-12-26-52(54)61-58(63)32-18-33-59(61)65(46-38-35-44(36-39-46)53-41-45(42-19-5-3-6-20-42)37-40-47(53)43-21-7-4-8-22-43)60-34-17-27-51-50-25-11-16-31-57(50)64(62(51)60)55-29-14-9-23-48(55)49-24-10-15-30-56(49)64/h3-41H,1-2H3
InChIKeyQABRVEFMYSWLGF-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.81
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 135271121) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID135271121
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C64H45N/c1-63(2)54-28-13-12-26-52(54)61-58(63)32-18-33-59(61)65(46-38-35-44(36-39-46)53-41-45(42-19-5-3-6-20-42)37-40-47(53)43-21-7-4-8-22-43)60-34-17-27-51-50-25-11-16-31-57(50)64(62(51)60)55-29-14-9-23-48(55)49-24-10-15-30-56(49)64/h3-41H,1-2H3
InChIKeyQABRVEFMYSWLGF-UHFFFAOYSA-N
XLogP16.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 135271121) is N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is QABRVEFMYSWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-63(2)54-28-13-12-26-52(54)61-58(63)32-18-33-59(61)65(46-38-35-44(36-39-46)53-41-45(42-19-5-3-6-20-42)37-40-47(53)43-21-7-4-8-22-43)60-34-17-27-51-50-25-11-16-31-57(50)64(62(51)60)55-29-14-9-23-48(55)49-24-10-15-30-56(49)64/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 828.07 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 135271121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).