2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine

C56H51NO2 — CID 176821830

IUPAC2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3oc5ccccc5c23)cc1C4(C)C
InChIInChI=1S/C56H51NO2/c1-53(2,3)32-26-41-40-30-39-37-25-23-34(29-44(37)56(9,10)45(39)31-50(40)59-52(41)46(27-32)54(4,5)6)57(47-19-15-21-49-51(47)38-17-12-14-20-48(38)58-49)33-22-24-36-35-16-11-13-18-42(35)55(7,8)43(36)28-33/h11-31H,1-10H3
InChIKeyKWGPUHRJEQXSKQ-UHFFFAOYSA-N
MW770.03 g/mol
LogP16.16
Rot. Bonds3

About 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine

2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine (PubChem CID 176821830) has the molecular formula C56H51NO2 and a molecular weight of 770.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
PubChem CID176821830
Molecular FormulaC56H51NO2
Molecular Weight770.03 g/mol
Exact Mass769.39
IUPAC Name2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3oc5ccccc5c23)cc1C4(C)C
InChIInChI=1S/C56H51NO2/c1-53(2,3)32-26-41-40-30-39-37-25-23-34(29-44(37)56(9,10)45(39)31-50(40)59-52(41)46(27-32)54(4,5)6)57(47-19-15-21-49-51(47)38-17-12-14-20-48(38)58-49)33-22-24-36-35-16-11-13-18-42(35)55(7,8)43(36)28-33/h11-31H,1-10H3
InChIKeyKWGPUHRJEQXSKQ-UHFFFAOYSA-N
XLogP16.16
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine with MolForge

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Related Compounds

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-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
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
2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
CID 176821721
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
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751242
N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 176751116
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine?
The IUPAC name of 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) is 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3oc5ccccc5c23)cc1C4(C)C.
What is the InChIKey of 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine?
The InChIKey is KWGPUHRJEQXSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51NO2/c1-53(2,3)32-26-41-40-30-39-37-25-23-34(29-44(37)56(9,10)45(39)31-50(40)59-52(41)46(27-32)54(4,5)6)57(47-19-15-21-49-51(47)38-17-12-14-20-48(38)58-49)33-22-24-36-35-16-11-13-18-42(35)55(7,8)43(36)28-33/h11-31H,1-10H3.
What are the key properties of 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine?
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine has a molecular weight of 770.03 g/mol, XLogP of 16.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 176821830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).