7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

C47H43NO2 — CID 176751204

IUPAC7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C47H43NO2/c1-45(2,3)28-24-38(46(4,5)6)43-35-26-29(21-23-41(35)49-42(43)25-28)48(39-18-13-16-34-33-15-10-12-19-40(33)50-44(34)39)30-20-22-32-31-14-9-11-17-36(31)47(7,8)37(32)27-30/h9-27H,1-8H3
InChIKeyHKQYKXCYTPLAQB-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.86
Rot. Bonds3

About 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 176751204) has the molecular formula C47H43NO2 and a molecular weight of 653.87 g/mol. Its IUPAC name is 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
PubChem CID176751204
Molecular FormulaC47H43NO2
Molecular Weight653.87 g/mol
Exact Mass653.33
IUPAC Name7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C47H43NO2/c1-45(2,3)28-24-38(46(4,5)6)43-35-26-29(21-23-41(35)49-42(43)25-28)48(39-18-13-16-34-33-15-10-12-19-40(33)50-44(34)39)30-20-22-32-31-14-9-11-17-36(31)47(7,8)37(32)27-30/h9-27H,1-8H3
InChIKeyHKQYKXCYTPLAQB-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-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 176751116
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
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-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176751030
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163

Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The IUPAC name of 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (CID 176751204) is 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The InChIKey is HKQYKXCYTPLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NO2/c1-45(2,3)28-24-38(46(4,5)6)43-35-26-29(21-23-41(35)49-42(43)25-28)48(39-18-13-16-34-33-15-10-12-19-40(33)50-44(34)39)30-20-22-32-31-14-9-11-17-36(31)47(7,8)37(32)27-30/h9-27H,1-8H3.
What are the key properties of 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-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 7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176751204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).