6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine

C47H43NO2 — CID 176751216

IUPAC6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)cccc3c2c1
InChIInChI=1S/C47H43NO2/c1-45(2,3)28-25-35-34-18-14-21-40(44(34)50-42(35)38(26-28)46(4,5)6)48(39-20-13-17-33-32-16-10-12-22-41(32)49-43(33)39)29-23-24-31-30-15-9-11-19-36(30)47(7,8)37(31)27-29/h9-27H,1-8H3
InChIKeyUCYZBCGAVGETPJ-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.86
Rot. Bonds3

About 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine

6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (PubChem CID 176751216) has the molecular formula C47H43NO2 and a molecular weight of 653.87 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
PubChem CID176751216
Molecular FormulaC47H43NO2
Molecular Weight653.87 g/mol
Exact Mass653.33
IUPAC Name6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)cccc3c2c1
InChIInChI=1S/C47H43NO2/c1-45(2,3)28-25-35-34-18-14-21-40(44(34)50-42(35)38(26-28)46(4,5)6)48(39-20-13-17-33-32-16-10-12-22-41(32)49-43(33)39)29-23-24-31-30-15-9-11-19-36(30)47(7,8)37(31)27-29/h9-27H,1-8H3
InChIKeyUCYZBCGAVGETPJ-UHFFFAOYSA-N
XLogP13.86
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
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-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 176751175
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
6,8-ditert-butyl-N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751229
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,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
CID 176821650
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
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-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (CID 176751216) is 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4oc4ccccc45)cccc3c2c1.
What is the InChIKey of 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is UCYZBCGAVGETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NO2/c1-45(2,3)28-25-35-34-18-14-21-40(44(34)50-42(35)38(26-28)46(4,5)6)48(39-20-13-17-33-32-16-10-12-22-41(32)49-43(33)39)29-23-24-31-30-15-9-11-19-36(30)47(7,8)37(31)27-29/h9-27H,1-8H3.
What are the key properties of 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine has a molecular weight of 653.87 g/mol, XLogP of 13.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 176751216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).