N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

C59H43NO — CID 170139028

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C59H43NO/c1-58(2)50-26-11-8-24-49(50)57-48(25-16-28-52(57)58)45-22-9-13-29-54(45)60(41-20-15-17-38(35-41)39-31-33-47-46-23-10-14-30-55(46)61-56(47)36-39)42-32-34-44-43-21-7-12-27-51(43)59(3,53(44)37-42)40-18-5-4-6-19-40/h4-37H,1-3H3
InChIKeyOZOMSVDRJVNLJT-UHFFFAOYSA-N
MW782.00 g/mol
LogP16.03
Rot. Bonds6

About N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (PubChem CID 170139028) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
PubChem CID170139028
Molecular FormulaC59H43NO
Molecular Weight782.00 g/mol
Exact Mass781.33
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C59H43NO/c1-58(2)50-26-11-8-24-49(50)57-48(25-16-28-52(57)58)45-22-9-13-29-54(45)60(41-20-15-17-38(35-41)39-31-33-47-46-23-10-14-30-55(46)61-56(47)36-39)42-32-34-44-43-21-7-12-27-51(43)59(3,53(44)37-42)40-18-5-4-6-19-40/h4-37H,1-3H3
InChIKeyOZOMSVDRJVNLJT-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

N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453273
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 138462029
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119205
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)dibenzofuran-1-amine
CID 138484796

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (CID 170139028) is N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is OZOMSVDRJVNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-58(2)50-26-11-8-24-49(50)57-48(25-16-28-52(57)58)45-22-9-13-29-54(45)60(41-20-15-17-38(35-41)39-31-33-47-46-23-10-14-30-55(46)61-56(47)36-39)42-32-34-44-43-21-7-12-27-51(43)59(3,53(44)37-42)40-18-5-4-6-19-40/h4-37H,1-3H3.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-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-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 170139028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).