4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine

C65H53NO — CID 176821731

IUPAC4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1cccc2oc3c4c(ccc3c12)C(C)(C)c1cccc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1-4
InChIInChI=1S/C65H53NO/c1-62(2,3)52-30-19-33-57-58(52)48-36-37-54-60(61(48)67-57)59-53(64(54,6)7)31-18-32-56(59)66(43-34-35-47-44-24-11-14-27-49(44)63(4,5)55(47)39-43)42-23-17-22-41(38-42)65(40-20-9-8-10-21-40)50-28-15-12-25-45(50)46-26-13-16-29-51(46)65/h8-39H,1-7H3
InChIKeyROXHYWJZGWWHNM-UHFFFAOYSA-N
MW864.15 g/mol
LogP17.33
Rot. Bonds5

About 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine

4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine (PubChem CID 176821731) has the molecular formula C65H53NO and a molecular weight of 864.15 g/mol. Its IUPAC name is 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine
PubChem CID176821731
Molecular FormulaC65H53NO
Molecular Weight864.15 g/mol
Exact Mass863.41
IUPAC Name4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1cccc2oc3c4c(ccc3c12)C(C)(C)c1cccc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1-4
InChIInChI=1S/C65H53NO/c1-62(2,3)52-30-19-33-57-58(52)48-36-37-54-60(61(48)67-57)59-53(64(54,6)7)31-18-32-56(59)66(43-34-35-47-44-24-11-14-27-49(44)63(4,5)55(47)39-43)42-23-17-22-41(38-42)65(40-20-9-8-10-21-40)50-28-15-12-25-45(50)46-26-13-16-29-51(46)65/h8-39H,1-7H3
InChIKeyROXHYWJZGWWHNM-UHFFFAOYSA-N
XLogP17.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.15
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine with MolForge

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Related Compounds

9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 176822047
4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821768
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 176605499
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
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 170353074
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
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
2-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821926
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine?
The IUPAC name of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine (CID 176821731) is 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine.
What is the SMILES notation for 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine?
The canonical SMILES for 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine is CC(C)(C)c1cccc2oc3c4c(ccc3c12)C(C)(C)c1cccc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1-4.
What is the InChIKey of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine?
The InChIKey is ROXHYWJZGWWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53NO/c1-62(2,3)52-30-19-33-57-58(52)48-36-37-54-60(61(48)67-57)59-53(64(54,6)7)31-18-32-56(59)66(43-34-35-47-44-24-11-14-27-49(44)63(4,5)55(47)39-43)42-23-17-22-41(38-42)65(40-20-9-8-10-21-40)50-28-15-12-25-45(50)46-26-13-16-29-51(46)65/h8-39H,1-7H3.
What are the key properties of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine?
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine has a molecular weight of 864.15 g/mol, XLogP of 17.33, 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-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine is sourced from PubChem (CID 176821731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).