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

C58H47NO2 — CID 176821802

IUPAC3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1ccc2oc3c4c(ccc3c2c1)C(C)(C)c1cccc(N(c2ccc(-c3cccc5c3oc3ccccc35)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1-4
InChIInChI=1S/C58H47NO2/c1-56(2,3)35-24-31-51-44(32-35)43-29-30-47-53(55(43)61-51)52-46(58(47,6)7)19-13-20-49(52)59(37-27-28-40-39-14-8-10-18-45(39)57(4,5)48(40)33-37)36-25-22-34(23-26-36)38-16-12-17-42-41-15-9-11-21-50(41)60-54(38)42/h8-33H,1-7H3
InChIKeyOTBZNCFPOYZRKO-UHFFFAOYSA-N
MW790.02 g/mol
LogP16.53
Rot. Bonds4

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

3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine (PubChem CID 176821802) has the molecular formula C58H47NO2 and a molecular weight of 790.02 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
PubChem CID176821802
Molecular FormulaC58H47NO2
Molecular Weight790.02 g/mol
Exact Mass789.36
IUPAC Name3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1ccc2oc3c4c(ccc3c2c1)C(C)(C)c1cccc(N(c2ccc(-c3cccc5c3oc3ccccc35)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1-4
InChIInChI=1S/C58H47NO2/c1-56(2,3)35-24-31-51-44(32-35)43-29-30-47-53(55(43)61-51)52-46(58(47,6)7)19-13-20-49(52)59(37-27-28-40-39-14-8-10-18-45(39)57(4,5)48(40)33-37)36-25-22-34(23-26-36)38-16-12-17-42-41-15-9-11-21-50(41)60-54(38)42/h8-33H,1-7H3
InChIKeyOTBZNCFPOYZRKO-UHFFFAOYSA-N
XLogP16.53
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine
CID 176821740
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 170353074
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606
2-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-amine
CID 176822062
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
CID 154955026
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine?
The IUPAC name of 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) is 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine.
What is the SMILES notation for 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine?
The canonical SMILES for 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine is CC(C)(C)c1ccc2oc3c4c(ccc3c2c1)C(C)(C)c1cccc(N(c2ccc(-c3cccc5c3oc3ccccc35)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1-4.
What is the InChIKey of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine?
The InChIKey is OTBZNCFPOYZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47NO2/c1-56(2,3)35-24-31-51-44(32-35)43-29-30-47-53(55(43)61-51)52-46(58(47,6)7)19-13-20-49(52)59(37-27-28-40-39-14-8-10-18-45(39)57(4,5)48(40)33-37)36-25-22-34(23-26-36)38-16-12-17-42-41-15-9-11-21-50(41)60-54(38)42/h8-33H,1-7H3.
What are the key properties of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine?
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine has a molecular weight of 790.02 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine is sourced from PubChem (CID 176821802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).