6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

C47H43NOS — CID 176751242

IUPAC6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)ccc3c2c1
InChIInChI=1S/C47H43NOS/c1-45(2,3)28-24-35-33-23-21-30(27-40(33)49-44(35)38(25-28)46(4,5)6)48(39-17-13-19-42-43(39)34-15-10-12-18-41(34)50-42)29-20-22-32-31-14-9-11-16-36(31)47(7,8)37(32)26-29/h9-27H,1-8H3
InChIKeyNPWIDWVBOLUJIS-UHFFFAOYSA-N
MW669.93 g/mol
LogP14.32
Rot. Bonds3

About 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (PubChem CID 176751242) has the molecular formula C47H43NOS and a molecular weight of 669.93 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
PubChem CID176751242
Molecular FormulaC47H43NOS
Molecular Weight669.93 g/mol
Exact Mass669.31
IUPAC Name6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)ccc3c2c1
InChIInChI=1S/C47H43NOS/c1-45(2,3)28-24-35-33-23-21-30(27-40(33)49-44(35)38(25-28)46(4,5)6)48(39-17-13-19-42-43(39)34-15-10-12-18-41(34)50-42)29-20-22-32-31-14-9-11-16-36(31)47(7,8)37(32)26-29/h9-27H,1-8H3
InChIKeyNPWIDWVBOLUJIS-UHFFFAOYSA-N
XLogP14.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.93
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-ditert-butyl-N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751229
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
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
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-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751202
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-(2,4-ditert-butyl-11,11-dimethylfluoreno[6,7-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176822087
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
CID 176824535

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The IUPAC name of 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (CID 176751242) is 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5sc6ccccc6c45)ccc3c2c1.
What is the InChIKey of 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The InChIKey is NPWIDWVBOLUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NOS/c1-45(2,3)28-24-35-33-23-21-30(27-40(33)49-44(35)38(25-28)46(4,5)6)48(39-17-13-19-42-43(39)34-15-10-12-18-41(34)50-42)29-20-22-32-31-14-9-11-16-36(31)47(7,8)37(32)26-29/h9-27H,1-8H3.
What are the key properties of 6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine has a molecular weight of 669.93 g/mol, XLogP of 14.32, 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-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).