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

C65H53NO — CID 176821926

IUPAC2-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
SMILESCC(C)(C)c1ccc2oc3cc4c(cc3c2c1)-c1ccc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C4(C)C
InChIInChI=1S/C65H53NO/c1-62(2,3)41-28-33-60-52(35-41)53-38-51-50-32-30-45(37-58(50)64(6,7)59(51)39-61(53)67-60)66(44-29-31-49-46-22-11-14-25-54(46)63(4,5)57(49)36-44)43-21-17-20-42(34-43)65(40-18-9-8-10-19-40)55-26-15-12-23-47(55)48-24-13-16-27-56(48)65/h8-39H,1-7H3
InChIKeyQTIRNQQIZOKGCN-UHFFFAOYSA-N
MW864.15 g/mol
LogP17.33
Rot. Bonds5

About 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

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 (PubChem CID 176821926) has the molecular formula C65H53NO and a molecular weight of 864.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID176821926
Molecular FormulaC65H53NO
Molecular Weight864.15 g/mol
Exact Mass863.41
IUPAC Name2-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
SMILESCC(C)(C)c1ccc2oc3cc4c(cc3c2c1)-c1ccc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C4(C)C
InChIInChI=1S/C65H53NO/c1-62(2,3)41-28-33-60-52(35-41)53-38-51-50-32-30-45(37-58(50)64(6,7)59(51)39-61(53)67-60)66(44-29-31-49-46-22-11-14-25-54(46)63(4,5)57(49)36-44)43-21-17-20-42(34-43)65(40-18-9-8-10-19-40)55-26-15-12-23-47(55)48-24-13-16-27-56(48)65/h8-39H,1-7H3
InChIKeyQTIRNQQIZOKGCN-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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176751030
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
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2oc3cc4c(cc3c2c1)-c1ccc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C4(C)C.
What is the InChIKey of 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?
The InChIKey is QTIRNQQIZOKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53NO/c1-62(2,3)41-28-33-60-52(35-41)53-38-51-50-32-30-45(37-58(50)64(6,7)59(51)39-61(53)67-60)66(44-29-31-49-46-22-11-14-25-54(46)63(4,5)57(49)36-44)43-21-17-20-42(34-43)65(40-18-9-8-10-19-40)55-26-15-12-23-47(55)48-24-13-16-27-56(48)65/h8-39H,1-7H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176821926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).