N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine

C70H49NO — CID 155153867

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc(-c6ccccc6)c4-5)c4c3oc3ccccc34)cc21
InChIInChI=1S/C70H49NO/c1-69(2)60-31-17-15-28-56(60)57-41-39-53(45-62(57)69)71(52-37-34-47(35-38-52)46-20-7-3-8-21-46)64-43-42-55(67-59-29-16-18-33-65(59)72-68(64)67)49-36-40-58-63(44-49)70(50-24-11-5-12-25-50,51-26-13-6-14-27-51)61-32-19-30-54(66(58)61)48-22-9-4-10-23-48/h3-45H,1-2H3
InChIKeyXOJRPILVZQRWQY-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.73
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine (PubChem CID 155153867) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine
PubChem CID155153867
Molecular FormulaC70H49NO
Molecular Weight920.17 g/mol
Exact Mass919.38
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc(-c6ccccc6)c4-5)c4c3oc3ccccc34)cc21
InChIInChI=1S/C70H49NO/c1-69(2)60-31-17-15-28-56(60)57-41-39-53(45-62(57)69)71(52-37-34-47(35-38-52)46-20-7-3-8-21-46)64-43-42-55(67-59-29-16-18-33-65(59)72-68(64)67)49-36-40-58-63(44-49)70(50-24-11-5-12-25-50,51-26-13-6-14-27-51)61-32-19-30-54(66(58)61)48-22-9-4-10-23-48/h3-45H,1-2H3
InChIKeyXOJRPILVZQRWQY-UHFFFAOYSA-N
XLogP18.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161068625
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-N-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-diphenyl-N,N-bis(3-phenylphenyl)fluoren-2-amine;N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 157397813
6-[4-(N-[6-[9,9-dimethyl-7-(4-phenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylanilino)fluoren-2-yl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl]-4-phenylanilino)dibenzofuran-1-yl]-N-phenyl-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 167118099
N-(9,9-dimethylfluoren-2-yl)-N-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-4-amine;9,9-dimethyl-N-[2-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 159569909
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 162194632
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
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)-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-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285752

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine (CID 155153867) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc(-c6ccccc6)c4-5)c4c3oc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is XOJRPILVZQRWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)60-31-17-15-28-56(60)57-41-39-53(45-62(57)69)71(52-37-34-47(35-38-52)46-20-7-3-8-21-46)64-43-42-55(67-59-29-16-18-33-65(59)72-68(64)67)49-36-40-58-63(44-49)70(50-24-11-5-12-25-50,51-26-13-6-14-27-51)61-32-19-30-54(66(58)61)48-22-9-4-10-23-48/h3-45H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine has a molecular weight of 920.17 g/mol, XLogP of 18.73, 8 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)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 155153867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).