N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C64H45NO — CID 169022228

IUPACN-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C64H45NO/c1-63(2)56-25-13-9-21-50(56)53-38-37-48(40-59(53)63)65(47-35-33-45(34-36-47)44-31-29-43(30-32-44)42-17-5-3-6-18-42)49-39-55-54-24-12-16-28-61(54)66-62(55)60(41-49)64(46-19-7-4-8-20-46)57-26-14-10-22-51(57)52-23-11-15-27-58(52)64/h3-41H,1-2H3
InChIKeyYNNOLFUBLHQRIV-UHFFFAOYSA-N
MW844.07 g/mol
LogP17.06
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 169022228) has the molecular formula C64H45NO and a molecular weight of 844.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID169022228
Molecular FormulaC64H45NO
Molecular Weight844.07 g/mol
Exact Mass843.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C64H45NO/c1-63(2)56-25-13-9-21-50(56)53-38-37-48(40-59(53)63)65(47-35-33-45(34-36-47)44-31-29-43(30-32-44)42-17-5-3-6-18-42)49-39-55-54-24-12-16-28-61(54)66-62(55)60(41-49)64(46-19-7-4-8-20-46)57-26-14-10-22-51(57)52-23-11-15-27-58(52)64/h3-41H,1-2H3
InChIKeyYNNOLFUBLHQRIV-UHFFFAOYSA-N
XLogP17.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.07
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022287
N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160821142
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022235
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
N-(9,9-dimethylfluoren-2-yl)-4-[9-(3-ethenylphenyl)fluoren-9-yl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-2-amine
CID 166647090
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160965633
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 169022228) is N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is YNNOLFUBLHQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NO/c1-63(2)56-25-13-9-21-50(56)53-38-37-48(40-59(53)63)65(47-35-33-45(34-36-47)44-31-29-43(30-32-44)42-17-5-3-6-18-42)49-39-55-54-24-12-16-28-61(54)66-62(55)60(41-49)64(46-19-7-4-8-20-46)57-26-14-10-22-51(57)52-23-11-15-27-58(52)64/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 844.07 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 169022228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).