7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

C50H49NO — CID 176751052

IUPAC7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C50H49NO/c1-47(2,3)30-26-41(48(4,5)6)45-37-25-23-32(29-43(37)52-44(45)27-30)51(31-22-24-35-33-16-11-13-19-38(33)49(7,8)40(35)28-31)42-21-15-18-36-34-17-12-14-20-39(34)50(9,10)46(36)42/h11-29H,1-10H3
InChIKeyGQAFQHGOCQPITF-UHFFFAOYSA-N
MW679.95 g/mol
LogP14.26
Rot. Bonds3

About 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (PubChem CID 176751052) has the molecular formula C50H49NO and a molecular weight of 679.95 g/mol. Its IUPAC name is 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
PubChem CID176751052
Molecular FormulaC50H49NO
Molecular Weight679.95 g/mol
Exact Mass679.38
IUPAC Name7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C50H49NO/c1-47(2,3)30-26-41(48(4,5)6)45-37-25-23-32(29-43(37)52-44(45)27-30)51(31-22-24-35-33-16-11-13-19-38(33)49(7,8)40(35)28-31)42-21-15-18-36-34-17-12-14-20-39(34)50(9,10)46(36)42/h11-29H,1-10H3
InChIKeyGQAFQHGOCQPITF-UHFFFAOYSA-N
XLogP14.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.95
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-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

N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 176751116
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
N-(2,4-ditert-butyl-11,11-dimethylfluoreno[6,7-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176822087
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
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
7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176751030
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine
CID 170144220
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
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
2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
CID 176821650

Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The IUPAC name of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (CID 176751052) is 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)ccc12.
What is the InChIKey of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The InChIKey is GQAFQHGOCQPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49NO/c1-47(2,3)30-26-41(48(4,5)6)45-37-25-23-32(29-43(37)52-44(45)27-30)51(31-22-24-35-33-16-11-13-19-38(33)49(7,8)40(35)28-31)42-21-15-18-36-34-17-12-14-20-39(34)50(9,10)46(36)42/h11-29H,1-10H3.
What are the key properties of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine has a molecular weight of 679.95 g/mol, XLogP of 14.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176751052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).