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

C57H41NO — CID 177281306

IUPACN-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C57H41NO/c1-57(2)50-24-14-12-22-45(50)46-33-31-44(37-51(46)57)58(43-29-26-40(27-30-43)38-16-6-3-7-17-38)52-34-35-54-56(48-23-13-15-25-53(48)59-54)55(52)47-32-28-42(39-18-8-4-9-19-39)36-49(47)41-20-10-5-11-21-41/h3-37H,1-2H3
InChIKeyATIYYKCVAVWWRS-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

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

N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177281306) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177281306
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C57H41NO/c1-57(2)50-24-14-12-22-45(50)46-33-31-44(37-51(46)57)58(43-29-26-40(27-30-43)38-16-6-3-7-17-38)52-34-35-54-56(48-23-13-15-25-53(48)59-54)55(52)47-32-28-42(39-18-8-4-9-19-39)36-49(47)41-20-10-5-11-21-41/h3-37H,1-2H3
InChIKeyATIYYKCVAVWWRS-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964245
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-11-amine
CID 171402140

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177281306) is N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is ATIYYKCVAVWWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)50-24-14-12-22-45(50)46-33-31-44(37-51(46)57)58(43-29-26-40(27-30-43)38-16-6-3-7-17-38)52-34-35-54-56(48-23-13-15-25-53(48)59-54)55(52)47-32-28-42(39-18-8-4-9-19-39)36-49(47)41-20-10-5-11-21-41/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 755.96 g/mol, XLogP of 16.03, 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)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).