9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine

C37H29NS — CID 118134144

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine
SMILESCC1(C)c2ccccc2Sc2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C37H29NS/c1-37(2)31-17-8-9-21-35(31)39-36-32(37)18-11-20-34(36)38(33-19-10-15-28-14-6-7-16-30(28)33)29-24-22-27(23-25-29)26-12-4-3-5-13-26/h3-25H,1-2H3
InChIKeyGQKWESUHFKLADF-UHFFFAOYSA-N
MW519.71 g/mol
LogP10.77
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine (PubChem CID 118134144) has the molecular formula C37H29NS and a molecular weight of 519.71 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine
PubChem CID118134144
Molecular FormulaC37H29NS
Molecular Weight519.71 g/mol
Exact Mass519.20
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine
SMILESCC1(C)c2ccccc2Sc2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C37H29NS/c1-37(2)31-17-8-9-21-35(31)39-36-32(37)18-11-20-34(36)38(33-19-10-15-28-14-6-7-16-30(28)33)29-24-22-27(23-25-29)26-12-4-3-5-13-26/h3-25H,1-2H3
InChIKeyGQKWESUHFKLADF-UHFFFAOYSA-N
XLogP10.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-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-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylthioxanthen-4-amine
CID 118134091
N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 158479968
10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine
CID 159614176
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 123221354
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine (CID 118134144) is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine is CC1(C)c2ccccc2Sc2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine?
The InChIKey is GQKWESUHFKLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NS/c1-37(2)31-17-8-9-21-35(31)39-36-32(37)18-11-20-34(36)38(33-19-10-15-28-14-6-7-16-30(28)33)29-24-22-27(23-25-29)26-12-4-3-5-13-26/h3-25H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine has a molecular weight of 519.71 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine is sourced from PubChem (CID 118134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).