N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine

C51H43NO — CID 172544930

IUPACN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(Nc3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21
InChIInChI=1S/C51H43NO/c1-49(2,3)32-25-27-35-36-28-26-33(50(4,5)6)30-42(36)51(41(35)29-32)39-20-11-10-17-37(39)46-40(51)21-13-22-43(46)52-44-23-14-24-45-47(44)38-19-12-18-34(48(38)53-45)31-15-8-7-9-16-31/h7-30,52H,1-6H3
InChIKeyWMYRWTIIFGGVEZ-UHFFFAOYSA-N
MW685.91 g/mol
LogP13.94
Rot. Bonds3

About N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine (PubChem CID 172544930) has the molecular formula C51H43NO and a molecular weight of 685.91 g/mol. Its IUPAC name is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
PubChem CID172544930
Molecular FormulaC51H43NO
Molecular Weight685.91 g/mol
Exact Mass685.33
IUPAC NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(Nc3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21
InChIInChI=1S/C51H43NO/c1-49(2,3)32-25-27-35-36-28-26-33(50(4,5)6)30-42(36)51(41(35)29-32)39-20-11-10-17-37(39)46-40(51)21-13-22-43(46)52-44-23-14-24-45-47(44)38-19-12-18-34(48(38)53-45)31-15-8-7-9-16-31/h7-30,52H,1-6H3
InChIKeyWMYRWTIIFGGVEZ-UHFFFAOYSA-N
XLogP13.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.91
LogP ≤ 513.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzothiophen-1-amine
CID 172544806
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730668
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
CID 172544870
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730572
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170421354
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
CID 177114189

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine?
The IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine (CID 172544930) is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(Nc3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21.
What is the InChIKey of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine?
The InChIKey is WMYRWTIIFGGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43NO/c1-49(2,3)32-25-27-35-36-28-26-33(50(4,5)6)30-42(36)51(41(35)29-32)39-20-11-10-17-37(39)46-40(51)21-13-22-43(46)52-44-23-14-24-45-47(44)38-19-12-18-34(48(38)53-45)31-15-8-7-9-16-31/h7-30,52H,1-6H3.
What are the key properties of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine?
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine has a molecular weight of 685.91 g/mol, XLogP of 13.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine is sourced from PubChem (CID 172544930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).