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

C59H59NO — CID 174315841

IUPAC7-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
SMILESCC(C)c1cccc2c1oc1c(-c3ccc(C(C)(C)C)cc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cccc12
InChIInChI=1S/C59H59NO/c1-35(2)40-18-15-20-47-48-21-16-19-46(55(48)61-54(40)47)45-28-24-37(57(6,7)8)32-53(45)60(38-25-29-43-41-17-13-14-22-49(41)58(9,10)51(43)33-38)39-26-30-44-42-27-23-36(56(3,4)5)31-50(42)59(11,12)52(44)34-39/h13-35H,1-12H3
InChIKeyZRQUPBFUXQBOMW-UHFFFAOYSA-N
MW798.13 g/mol
LogP17.05
Rot. Bonds5

About 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

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 (PubChem CID 174315841) has the molecular formula C59H59NO and a molecular weight of 798.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID174315841
Molecular FormulaC59H59NO
Molecular Weight798.13 g/mol
Exact Mass797.46
IUPAC Name7-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
SMILESCC(C)c1cccc2c1oc1c(-c3ccc(C(C)(C)C)cc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cccc12
InChIInChI=1S/C59H59NO/c1-35(2)40-18-15-20-47-48-21-16-19-46(55(48)61-54(40)47)45-28-24-37(57(6,7)8)32-53(45)60(38-25-29-43-41-17-13-14-22-49(41)58(9,10)51(43)33-38)39-26-30-44-42-27-23-36(56(3,4)5)31-50(42)59(11,12)52(44)34-39/h13-35H,1-12H3
InChIKeyZRQUPBFUXQBOMW-UHFFFAOYSA-N
XLogP17.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.13
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
CID 174312493
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 174314035
7-tert-butyl-N-[5-tert-butyl-2-[6,8-di(propan-2-yl)-6,7-dihydrodibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315860
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
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
8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 174313565
2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
CID 154955026
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
18,18,21,21-tetramethyl-15-N,24-N-diphenyl-15-N,24-N-bis(6-propan-2-yldibenzofuran-4-yl)-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(27),23,25-dodecaene-15,24-diamine
CID 155761176
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc2c1oc1c(-c3ccc(C(C)(C)C)cc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cccc12.
What is the InChIKey of 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?
The InChIKey is ZRQUPBFUXQBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H59NO/c1-35(2)40-18-15-20-47-48-21-16-19-46(55(48)61-54(40)47)45-28-24-37(57(6,7)8)32-53(45)60(38-25-29-43-41-17-13-14-22-49(41)58(9,10)51(43)33-38)39-26-30-44-42-27-23-36(56(3,4)5)31-50(42)59(11,12)52(44)34-39/h13-35H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 798.13 g/mol, XLogP of 17.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174315841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).