N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine

C59H43NO — CID 169022152

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(oc5ccccc54)c3C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C59H43NO/c1-58(2)50-26-14-10-22-44(50)47-31-30-42(37-53(47)58)60(43-35-40(38-18-6-4-7-19-38)34-41(36-43)39-20-8-5-9-21-39)54-33-32-49-48-25-13-17-29-55(48)61-57(49)56(54)59(3)51-27-15-11-23-45(51)46-24-12-16-28-52(46)59/h4-37H,1-3H3
InChIKeyBQSJUFYNYNBIHH-UHFFFAOYSA-N
MW782.00 g/mol
LogP16.03
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine (PubChem CID 169022152) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
PubChem CID169022152
Molecular FormulaC59H43NO
Molecular Weight782.00 g/mol
Exact Mass781.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(oc5ccccc54)c3C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C59H43NO/c1-58(2)50-26-14-10-22-44(50)47-31-30-42(37-53(47)58)60(43-35-40(38-18-6-4-7-19-38)34-41(36-43)39-20-8-5-9-21-39)54-33-32-49-48-25-13-17-29-55(48)61-57(49)56(54)59(3)51-27-15-11-23-45(51)46-24-12-16-28-52(46)59/h4-37H,1-3H3
InChIKeyBQSJUFYNYNBIHH-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
CID 169022363
4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022297
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423967
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 155423580
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161143878
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine (CID 169022152) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(oc5ccccc54)c3C3(C)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The InChIKey is BQSJUFYNYNBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-58(2)50-26-14-10-22-44(50)47-31-30-42(37-53(47)58)60(43-35-40(38-18-6-4-7-19-38)34-41(36-43)39-20-8-5-9-21-39)54-33-32-49-48-25-13-17-29-55(48)61-57(49)56(54)59(3)51-27-15-11-23-45(51)46-24-12-16-28-52(46)59/h4-37H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine has a molecular weight of 782.00 g/mol, XLogP of 16.03, 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-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine is sourced from PubChem (CID 169022152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).