N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

C56H41NO — CID 118134285

IUPACN-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C56H41NO/c1-55(2)48-24-12-11-23-46(48)47-34-33-44(37-50(47)55)57(52-26-15-17-39-16-9-10-22-45(39)52)43-31-28-38(29-32-43)40-30-35-54-51(36-40)56(41-18-5-3-6-19-41,42-20-7-4-8-21-42)49-25-13-14-27-53(49)58-54/h3-37H,1-2H3
InChIKeyTYTHNQSTCPJQFZ-UHFFFAOYSA-N
MW743.95 g/mol
LogP14.77
Rot. Bonds6

About N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (PubChem CID 118134285) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
PubChem CID118134285
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC NameN-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C56H41NO/c1-55(2)48-24-12-11-23-46(48)47-34-33-44(37-50(47)55)57(52-26-15-17-39-16-9-10-22-45(39)52)43-31-28-38(29-32-43)40-30-35-54-51(36-40)56(41-18-5-3-6-19-41,42-20-7-4-8-21-42)49-25-13-14-27-53(49)58-54/h3-37H,1-2H3
InChIKeyTYTHNQSTCPJQFZ-UHFFFAOYSA-N
XLogP14.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 161172662
9,9-dimethyl-N-naphthalen-1-yl-N-[4-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]fluoren-2-amine
CID 169292946
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine
CID 118134276
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 139469368
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 121391814
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (CID 118134285) is N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The InChIKey is TYTHNQSTCPJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-55(2)48-24-12-11-23-46(48)47-34-33-44(37-50(47)55)57(52-26-15-17-39-16-9-10-22-45(39)52)43-31-28-38(29-32-43)40-30-35-54-51(36-40)56(41-18-5-3-6-19-41,42-20-7-4-8-21-42)49-25-13-14-27-53(49)58-54/h3-37H,1-2H3.
What are the key properties of N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine has a molecular weight of 743.95 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 118134285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).