4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine

C56H61NO — CID 174312671

IUPAC4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine
SMILESCC(C)c1cc(C(C)C)c2c(c1)oc1c(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc12
InChIInChI=1S/C56H61NO/c1-32(2)34-25-43(33(3)4)51-44-28-38(31-49(54(8,9)10)52(44)58-50(51)26-34)57(36-20-23-41-39-17-15-16-18-45(39)55(11,12)47(41)29-36)37-21-24-42-40-22-19-35(53(5,6)7)27-46(40)56(13,14)48(42)30-37/h15-33H,1-14H3
InChIKeyAETMENLJHUMEOP-UHFFFAOYSA-N
MW764.11 g/mol
LogP16.51
Rot. Bonds5

About 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine

4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine (PubChem CID 174312671) has the molecular formula C56H61NO and a molecular weight of 764.11 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine
PubChem CID174312671
Molecular FormulaC56H61NO
Molecular Weight764.11 g/mol
Exact Mass763.48
IUPAC Name4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine
SMILESCC(C)c1cc(C(C)C)c2c(c1)oc1c(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc12
InChIInChI=1S/C56H61NO/c1-32(2)34-25-43(33(3)4)51-44-28-38(31-49(54(8,9)10)52(44)58-50(51)26-34)57(36-20-23-41-39-17-15-16-18-45(39)55(11,12)47(41)29-36)37-21-24-42-40-22-19-35(53(5,6)7)27-46(40)56(13,14)48(42)30-37/h15-33H,1-14H3
InChIKeyAETMENLJHUMEOP-UHFFFAOYSA-N
XLogP16.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.11
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine with MolForge

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Related Compounds

4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
CID 174312493
7-tert-butyl-N-[5-tert-butyl-2-(6-propan-2-yldibenzofuran-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315841
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
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
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
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-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
CID 176821650

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine?
The IUPAC name of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine (CID 174312671) is 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine?
The canonical SMILES for 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine is CC(C)c1cc(C(C)C)c2c(c1)oc1c(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc12.
What is the InChIKey of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine?
The InChIKey is AETMENLJHUMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H61NO/c1-32(2)34-25-43(33(3)4)51-44-28-38(31-49(54(8,9)10)52(44)58-50(51)26-34)57(36-20-23-41-39-17-15-16-18-45(39)55(11,12)47(41)29-36)37-21-24-42-40-22-19-35(53(5,6)7)27-46(40)56(13,14)48(42)30-37/h15-33H,1-14H3.
What are the key properties of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine?
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine has a molecular weight of 764.11 g/mol, XLogP of 16.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 174312671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).