N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

C64H46N2 — CID 135166847

IUPACN-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cccc21
InChIInChI=1S/C64H46N2/c1-63(2)50-32-14-11-30-48(50)61-54(63)36-21-41-59(61)66(56-38-18-13-29-47(56)46-28-10-9-27-45(46)43-23-5-3-6-24-43)60-42-22-37-55-62(60)49-31-12-15-33-51(49)64(55)52-34-16-19-39-57(52)65(44-25-7-4-8-26-44)58-40-20-17-35-53(58)64/h3-42H,1-2H3
InChIKeyTUBPVIPDZUWKDX-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.94
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166847) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
PubChem CID135166847
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cccc21
InChIInChI=1S/C64H46N2/c1-63(2)50-32-14-11-30-48(50)61-54(63)36-21-41-59(61)66(56-38-18-13-29-47(56)46-28-10-9-27-45(46)43-23-5-3-6-24-43)60-42-22-37-55-62(60)49-31-12-15-33-51(49)64(55)52-34-16-19-39-57(52)65(44-25-7-4-8-26-44)58-40-20-17-35-53(58)64/h3-42H,1-2H3
InChIKeyTUBPVIPDZUWKDX-UHFFFAOYSA-N
XLogP16.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166608
N-naphthalen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135166872
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166771
N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166826
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240889
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166787
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168804

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166847) is N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The InChIKey is TUBPVIPDZUWKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)50-32-14-11-30-48(50)61-54(63)36-21-41-59(61)66(56-38-18-13-29-47(56)46-28-10-9-27-45(46)43-23-5-3-6-24-43)60-42-22-37-55-62(60)49-31-12-15-33-51(49)64(55)52-34-16-19-39-57(52)65(44-25-7-4-8-26-44)58-40-20-17-35-53(58)64/h3-42H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 843.09 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).