N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine

C57H41NS — CID 168788697

IUPACN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)c21
InChIInChI=1S/C57H41NS/c1-57(2)51-31-13-11-25-46(51)49-30-16-29-45(56(49)57)40-22-15-23-41(36-40)58(42-34-35-54-50(37-42)47-26-12-14-33-53(47)59-54)52-32-17-28-44(39-20-7-4-8-21-39)55(52)48-27-10-9-24-43(48)38-18-5-3-6-19-38/h3-37H,1-2H3
InChIKeyCBHHAESBUYTDMA-UHFFFAOYSA-N
MW772.03 g/mol
LogP16.50
Rot. Bonds7

About N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine (PubChem CID 168788697) has the molecular formula C57H41NS and a molecular weight of 772.03 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
PubChem CID168788697
Molecular FormulaC57H41NS
Molecular Weight772.03 g/mol
Exact Mass771.30
IUPAC NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)c21
InChIInChI=1S/C57H41NS/c1-57(2)51-31-13-11-25-46(51)49-30-16-29-45(56(49)57)40-22-15-23-41(36-40)58(42-34-35-54-50(37-42)47-26-12-14-33-53(47)59-54)52-32-17-28-44(39-20-7-4-8-21-39)55(52)48-27-10-9-24-43(48)38-18-5-3-6-19-38/h3-37H,1-2H3
InChIKeyCBHHAESBUYTDMA-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.03
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-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-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168790195
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-2-amine
CID 167236302
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170665703
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218561
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789634
N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 139568348
9,9-dimethyl-N-(3-phenylphenyl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]fluoren-2-amine
CID 177280990
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790978

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine (CID 168788697) is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5sc6ccccc6c5c4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)c21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is CBHHAESBUYTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NS/c1-57(2)51-31-13-11-25-46(51)49-30-16-29-45(56(49)57)40-22-15-23-41(36-40)58(42-34-35-54-50(37-42)47-26-12-14-33-53(47)59-54)52-32-17-28-44(39-20-7-4-8-21-39)55(52)48-27-10-9-24-43(48)38-18-5-3-6-19-38/h3-37H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine?
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 772.03 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 168788697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).