N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine

C39H29NS — CID 154949770

IUPACN-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5sc6ccccc6c5c4)cc3-c3ccccc3)cc21
InChIInChI=1S/C39H29NS/c1-39(2)34-14-8-6-12-29(34)30-19-18-28(24-35(30)39)40-36-20-16-26(22-32(36)25-10-4-3-5-11-25)27-17-21-38-33(23-27)31-13-7-9-15-37(31)41-38/h3-24,40H,1-2H3
InChIKeyJUSBDYNFDWJFDS-UHFFFAOYSA-N
MW543.74 g/mol
LogP11.44
Rot. Bonds4

About N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine

N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 154949770) has the molecular formula C39H29NS and a molecular weight of 543.74 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID154949770
Molecular FormulaC39H29NS
Molecular Weight543.74 g/mol
Exact Mass543.20
IUPAC NameN-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5sc6ccccc6c5c4)cc3-c3ccccc3)cc21
InChIInChI=1S/C39H29NS/c1-39(2)34-14-8-6-12-29(34)30-19-18-28(24-35(30)39)40-36-20-16-26(22-32(36)25-10-4-3-5-11-25)27-17-21-38-33(23-27)31-13-7-9-15-37(31)41-38/h3-24,40H,1-2H3
InChIKeyJUSBDYNFDWJFDS-UHFFFAOYSA-N
XLogP11.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.74
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-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-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144827396
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
2-[10-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-7-yl)anthracen-9-yl]dibenzothiophene
CID 122426757
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585198
4-dibenzothiophen-2-yl-6-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777088
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine (CID 154949770) is N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5sc6ccccc6c5c4)cc3-c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is JUSBDYNFDWJFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NS/c1-39(2)34-14-8-6-12-29(34)30-19-18-28(24-35(30)39)40-36-20-16-26(22-32(36)25-10-4-3-5-11-25)27-17-21-38-33(23-27)31-13-7-9-15-37(31)41-38/h3-24,40H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 543.74 g/mol, XLogP of 11.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 154949770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).