N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine

C56H53NO — CID 170144220

IUPACN-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C56H53NO/c1-53(2,3)34-31-44(54(4,5)6)51-45(32-34)55(7,8)43-25-17-22-39(50(43)51)37-20-12-15-26-46(37)57(35-29-30-49-41(33-35)38-21-13-16-28-48(38)58-49)47-27-18-23-40-36-19-11-14-24-42(36)56(9,10)52(40)47/h11-33H,1-10H3
InChIKeyHHMHTNKYUYWWMV-UHFFFAOYSA-N
MW756.05 g/mol
LogP15.93
Rot. Bonds4

About N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine

N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine (PubChem CID 170144220) has the molecular formula C56H53NO and a molecular weight of 756.05 g/mol. Its IUPAC name is N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine
PubChem CID170144220
Molecular FormulaC56H53NO
Molecular Weight756.05 g/mol
Exact Mass755.41
IUPAC NameN-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C56H53NO/c1-53(2,3)34-31-44(54(4,5)6)51-45(32-34)55(7,8)43-25-17-22-39(50(43)51)37-20-12-15-26-46(37)57(35-29-30-49-41(33-35)38-21-13-16-28-48(38)58-49)47-27-18-23-40-36-19-11-14-24-42(36)56(9,10)52(40)47/h11-33H,1-10H3
InChIKeyHHMHTNKYUYWWMV-UHFFFAOYSA-N
XLogP15.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.05
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine with MolForge

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
CID 176821684
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751052
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141724
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine (CID 170144220) is N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C(C)(C)c3ccccc3-4)c1-2.
What is the InChIKey of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine?
The InChIKey is HHMHTNKYUYWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53NO/c1-53(2,3)34-31-44(54(4,5)6)51-45(32-34)55(7,8)43-25-17-22-39(50(43)51)37-20-12-15-26-46(37)57(35-29-30-49-41(33-35)38-21-13-16-28-48(38)58-49)47-27-18-23-40-36-19-11-14-24-42(36)56(9,10)52(40)47/h11-33H,1-10H3.
What are the key properties of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine?
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine has a molecular weight of 756.05 g/mol, XLogP of 15.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 170144220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).