N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine

C64H46N2 — CID 135166608

IUPACN-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc3-c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C64H46N2/c1-63(2)52-30-12-10-29-51(52)62-56(63)34-20-38-61(62)66(58-35-16-11-27-48(58)45-24-19-23-44(41-45)43-21-5-3-6-22-43)47-39-40-50-49-28-9-13-31-53(49)64(57(50)42-47)54-32-14-17-36-59(54)65(46-25-7-4-8-26-46)60-37-18-15-33-55(60)64/h3-42H,1-2H3
InChIKeyTYTKZNORSAOMOA-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.94
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135166608) 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-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID135166608
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc3-c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C64H46N2/c1-63(2)52-30-12-10-29-51(52)62-56(63)34-20-38-61(62)66(58-35-16-11-27-48(58)45-24-19-23-44(41-45)43-21-5-3-6-22-43)47-39-40-50-49-28-9-13-31-53(49)64(57(50)42-47)54-32-14-17-36-59(54)65(46-25-7-4-8-26-46)60-37-18-15-33-55(60)64/h3-42H,1-2H3
InChIKeyTYTKZNORSAOMOA-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

N-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240757
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168804
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967
N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240335
10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
10-phenyl-N,N-bis[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166634
N,10-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168805
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-[3-[4'-[4-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)anilino]spiro[acridine-9,9'-fluorene]-10-yl]phenyl]phenyl]-5-phenylphenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240389
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;14-phenyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;14-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 157465397
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240889

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (CID 135166608) is N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc3-c3cccc(-c4ccccc4)c3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is TYTKZNORSAOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)52-30-12-10-29-51(52)62-56(63)34-20-38-61(62)66(58-35-16-11-27-48(58)45-24-19-23-44(41-45)43-21-5-3-6-22-43)47-39-40-50-49-28-9-13-31-53(49)64(57(50)42-47)54-32-14-17-36-59(54)65(46-25-7-4-8-26-46)60-37-18-15-33-55(60)64/h3-42H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-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-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135166608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).