2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine

C47H37N3S — CID 145194831

IUPAC2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine
SMILESCS1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4n3)cc2)c2ccccc21
InChIInChI=1S/C47H37N3S/c1-51(2)46-24-14-12-22-44(46)50(45-23-13-15-25-47(45)51)38-28-26-35(27-29-38)43-33-40(34-16-6-3-7-17-34)41-32-39(30-31-42(41)48-43)49(36-18-8-4-9-19-36)37-20-10-5-11-21-37/h3-33H,1-2H3
InChIKeyMGRUCKGENKXXTF-UHFFFAOYSA-N
MW675.90 g/mol
LogP13.30
Rot. Bonds6

About 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine

2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine (PubChem CID 145194831) has the molecular formula C47H37N3S and a molecular weight of 675.90 g/mol. Its IUPAC name is 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine.

Molecular Properties

Compound Name2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine
PubChem CID145194831
Molecular FormulaC47H37N3S
Molecular Weight675.90 g/mol
Exact Mass675.27
IUPAC Name2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine
SMILESCS1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4n3)cc2)c2ccccc21
InChIInChI=1S/C47H37N3S/c1-51(2)46-24-14-12-22-44(46)50(45-23-13-15-25-47(45)51)38-28-26-35(27-29-38)43-33-40(34-16-6-3-7-17-34)41-32-39(30-31-42(41)48-43)49(36-18-8-4-9-19-36)37-20-10-5-11-21-37/h3-33H,1-2H3
InChIKeyMGRUCKGENKXXTF-UHFFFAOYSA-N
XLogP13.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.90
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine with MolForge

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Related Compounds

10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine
CID 145194836
2,4-diphenyl-N,N-bis(4-phenylphenyl)quinolin-6-amine
CID 142713547
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153
14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 129062188
5,5-dimethyl-10-phenylphenothiazine
CID 130452501
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 126730302
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 135252863
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730142
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 126734425
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine?
The IUPAC name of 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine (CID 145194831) is 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine.
What is the SMILES notation for 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine?
The canonical SMILES for 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine is CS1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4n3)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine?
The InChIKey is MGRUCKGENKXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3S/c1-51(2)46-24-14-12-22-44(46)50(45-23-13-15-25-47(45)51)38-28-26-35(27-29-38)43-33-40(34-16-6-3-7-17-34)41-32-39(30-31-42(41)48-43)49(36-18-8-4-9-19-36)37-20-10-5-11-21-37/h3-33H,1-2H3.
What are the key properties of 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine?
2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine has a molecular weight of 675.90 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine is sourced from PubChem (CID 145194831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).