N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine

C49H41NS — CID 170141581

IUPACN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3ccccc34)c1-2
InChIInChI=1S/C49H41NS/c1-48(2,3)34-25-27-41-43(30-34)49(4,5)42-22-14-21-40(47(41)42)37-19-9-11-23-44(37)50(35-18-13-17-33(29-35)32-15-7-6-8-16-32)36-26-28-39-38-20-10-12-24-45(38)51-46(39)31-36/h6-31H,1-5H3
InChIKeyRORANRDSGSQYGV-UHFFFAOYSA-N
MW675.94 g/mol
LogP14.46
Rot. Bonds5

About N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 170141581) has the molecular formula C49H41NS and a molecular weight of 675.94 g/mol. Its IUPAC name is N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
PubChem CID170141581
Molecular FormulaC49H41NS
Molecular Weight675.94 g/mol
Exact Mass675.30
IUPAC NameN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3ccccc34)c1-2
InChIInChI=1S/C49H41NS/c1-48(2,3)34-25-27-41-43(30-34)49(4,5)42-22-14-21-40(47(41)42)37-19-9-11-23-44(37)50(35-18-13-17-33(29-35)32-15-7-6-8-16-32)36-26-28-39-38-20-10-12-24-45(38)51-46(39)31-36/h6-31H,1-5H3
InChIKeyRORANRDSGSQYGV-UHFFFAOYSA-N
XLogP14.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.94
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-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-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 170141974
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
9,9-dimethyl-N-(3-phenylphenyl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]fluoren-2-amine
CID 177280990
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N,N-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenylaniline;N-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline;N-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159815958
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 177274801

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine (CID 170141581) is N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3ccccc34)c1-2.
What is the InChIKey of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is RORANRDSGSQYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NS/c1-48(2,3)34-25-27-41-43(30-34)49(4,5)42-22-14-21-40(47(41)42)37-19-9-11-23-44(37)50(35-18-13-17-33(29-35)32-15-7-6-8-16-32)36-26-28-39-38-20-10-12-24-45(38)51-46(39)31-36/h6-31H,1-5H3.
What are the key properties of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine?
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 675.94 g/mol, XLogP of 14.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 170141581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).