2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine

C59H57NO — CID 176821650

IUPAC2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C4(C)C
InChIInChI=1S/C59H57NO/c1-55(2,3)34-28-42-41-32-43-49(33-52(41)61-54(42)50(29-34)56(4,5)6)59(11,12)46-22-17-23-51(53(43)46)60(35-24-26-39-37-18-13-15-20-44(37)57(7,8)47(39)30-35)36-25-27-40-38-19-14-16-21-45(38)58(9,10)48(40)31-36/h13-33H,1-12H3
InChIKeyMITDIHYYISAHQZ-UHFFFAOYSA-N
MW796.11 g/mol
LogP16.57
Rot. Bonds3

About 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine

2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine (PubChem CID 176821650) has the molecular formula C59H57NO and a molecular weight of 796.11 g/mol. Its IUPAC name is 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
PubChem CID176821650
Molecular FormulaC59H57NO
Molecular Weight796.11 g/mol
Exact Mass795.44
IUPAC Name2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C4(C)C
InChIInChI=1S/C59H57NO/c1-55(2,3)34-28-42-41-32-43-49(33-52(41)61-54(42)50(29-34)56(4,5)6)59(11,12)46-22-17-23-51(53(43)46)60(35-24-26-39-37-18-13-15-20-44(37)57(7,8)47(39)30-35)36-25-27-40-38-19-14-16-21-45(38)58(9,10)48(40)31-36/h13-33H,1-12H3
InChIKeyMITDIHYYISAHQZ-UHFFFAOYSA-N
XLogP16.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.11
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine with MolForge

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
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-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
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-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
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
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751242
5,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-18-amine
CID 176821887
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine
CID 176605468

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine?
The IUPAC name of 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine (CID 176821650) is 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine.
What is the SMILES notation for 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine?
The canonical SMILES for 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C4(C)C.
What is the InChIKey of 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine?
The InChIKey is MITDIHYYISAHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H57NO/c1-55(2,3)34-28-42-41-32-43-49(33-52(41)61-54(42)50(29-34)56(4,5)6)59(11,12)46-22-17-23-51(53(43)46)60(35-24-26-39-37-18-13-15-20-44(37)57(7,8)47(39)30-35)36-25-27-40-38-19-14-16-21-45(38)58(9,10)48(40)31-36/h13-33H,1-12H3.
What are the key properties of 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine?
2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine has a molecular weight of 796.11 g/mol, XLogP of 16.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine is sourced from PubChem (CID 176821650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).