5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C56H53NO — CID 174315361

IUPAC5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cccc2c1-c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4oc5c(C(C)(C)C)cccc5c4c3)cc1C2(C)C
InChIInChI=1S/C56H53NO/c1-53(2,3)44-21-16-22-45-51(44)41-29-27-36(33-48(41)56(45,9)10)57(35-26-28-39-38-18-11-13-20-43(38)55(7,8)47(39)32-35)49-24-14-12-17-37(49)34-25-30-50-42(31-34)40-19-15-23-46(52(40)58-50)54(4,5)6/h11-33H,1-10H3
InChIKeyMVGFCTOEYORWAT-UHFFFAOYSA-N
MW756.05 g/mol
LogP15.93
Rot. Bonds4

About 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 174315361) has the molecular formula C56H53NO and a molecular weight of 756.05 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID174315361
Molecular FormulaC56H53NO
Molecular Weight756.05 g/mol
Exact Mass755.41
IUPAC Name5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cccc2c1-c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4oc5c(C(C)(C)C)cccc5c4c3)cc1C2(C)C
InChIInChI=1S/C56H53NO/c1-53(2,3)44-21-16-22-45-51(44)41-29-27-36(33-48(41)56(45,9)10)57(35-26-28-39-38-18-11-13-20-43(38)55(7,8)47(39)32-35)49-24-14-12-17-37(49)34-25-30-50-42(31-34)40-19-15-23-46(52(40)58-50)54(4,5)6/h11-33H,1-10H3
InChIKeyMVGFCTOEYORWAT-UHFFFAOYSA-N
XLogP15.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.05
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
CID 176821802
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-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
CID 174311871
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
N-(2-tert-butylphenyl)-N-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 164801466
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 174315361) is 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cccc2c1-c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4oc5c(C(C)(C)C)cccc5c4c3)cc1C2(C)C.
What is the InChIKey of 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is MVGFCTOEYORWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53NO/c1-53(2,3)44-21-16-22-45-51(44)41-29-27-36(33-48(41)56(45,9)10)57(35-26-28-39-38-18-11-13-20-43(38)55(7,8)47(39)32-35)49-24-14-12-17-37(49)34-25-30-50-42(31-34)40-19-15-23-46(52(40)58-50)54(4,5)6/h11-33H,1-10H3.
What are the key properties of 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 756.05 g/mol, XLogP of 15.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 174315361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).