8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine

C53H47NO2 — CID 176821813

IUPAC8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c4c(ccc3c2c1)-c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)ccc1C4(C)C
InChIInChI=1S/C53H47NO2/c1-51(2,3)34-29-41-38-27-26-37-40-31-36(25-28-42(40)53(7,8)48(37)50(38)56-49(41)43(30-34)52(4,5)6)54(35-23-21-33(22-24-35)32-15-10-9-11-16-32)44-18-14-20-46-47(44)39-17-12-13-19-45(39)55-46/h9-31H,1-8H3
InChIKeyNOFGGHRVCMGLDG-UHFFFAOYSA-N
MW729.96 g/mol
LogP15.52
Rot. Bonds4

About 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine

8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine (PubChem CID 176821813) has the molecular formula C53H47NO2 and a molecular weight of 729.96 g/mol. Its IUPAC name is 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
PubChem CID176821813
Molecular FormulaC53H47NO2
Molecular Weight729.96 g/mol
Exact Mass729.36
IUPAC Name8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c4c(ccc3c2c1)-c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)ccc1C4(C)C
InChIInChI=1S/C53H47NO2/c1-51(2,3)34-29-41-38-27-26-37-40-31-36(25-28-42(40)53(7,8)48(37)50(38)56-49(41)43(30-34)52(4,5)6)54(35-23-21-33(22-24-35)32-15-10-9-11-16-32)44-18-14-20-46-47(44)39-17-12-13-19-45(39)55-46/h9-31H,1-8H3
InChIKeyNOFGGHRVCMGLDG-UHFFFAOYSA-N
XLogP15.52
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.96
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-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

8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
CID 176821725
5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-17-amine
CID 176821663
5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
CID 176821941
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
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 176751175
1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
CID 176821901
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 176821907
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144

Frequently Asked Questions

What is the IUPAC name of 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
The IUPAC name of 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine (CID 176821813) is 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3c4c(ccc3c2c1)-c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)ccc1C4(C)C.
What is the InChIKey of 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
The InChIKey is NOFGGHRVCMGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47NO2/c1-51(2,3)34-29-41-38-27-26-37-40-31-36(25-28-42(40)53(7,8)48(37)50(38)56-49(41)43(30-34)52(4,5)6)54(35-23-21-33(22-24-35)32-15-10-9-11-16-32)44-18-14-20-46-47(44)39-17-12-13-19-45(39)55-46/h9-31H,1-8H3.
What are the key properties of 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine has a molecular weight of 729.96 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 176821813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).