10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine

C49H41N3S2 — CID 145194836

IUPAC10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine
SMILESCS1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c4cc(N5c6ccccc6S(C)(C)c6ccccc65)ccc4n3)cc2)c2ccccc21
InChIInChI=1S/C49H41N3S2/c1-53(2)46-22-12-8-18-42(46)51(43-19-9-13-23-47(43)53)36-28-26-35(27-29-36)41-33-38(34-16-6-5-7-17-34)39-32-37(30-31-40(39)50-41)52-44-20-10-14-24-48(44)54(3,4)49-25-15-11-21-45(49)52/h5-33H,1-4H3
InChIKeyHYWCINZXCSIFSC-UHFFFAOYSA-N
MW736.02 g/mol
LogP14.10
Rot. Bonds4

About 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine

10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine (PubChem CID 145194836) has the molecular formula C49H41N3S2 and a molecular weight of 736.02 g/mol. Its IUPAC name is 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine.

Molecular Properties

Compound Name10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine
PubChem CID145194836
Molecular FormulaC49H41N3S2
Molecular Weight736.02 g/mol
Exact Mass735.27
IUPAC Name10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine
SMILESCS1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c4cc(N5c6ccccc6S(C)(C)c6ccccc65)ccc4n3)cc2)c2ccccc21
InChIInChI=1S/C49H41N3S2/c1-53(2)46-22-12-8-18-42(46)51(43-19-9-13-23-47(43)53)36-28-26-35(27-29-36)41-33-38(34-16-6-5-7-17-34)39-32-37(30-31-40(39)50-41)52-44-20-10-14-24-48(44)54(3,4)49-25-15-11-21-45(49)52/h5-33H,1-4H3
InChIKeyHYWCINZXCSIFSC-UHFFFAOYSA-N
XLogP14.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.02
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine
CID 145194831
5,5-dimethyl-10-phenylphenothiazine
CID 130452501
6-ethyl-2,4-diphenylquinoline
CID 132522547
5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140856453
2,4-diphenyl-N,N-bis(4-phenylphenyl)quinolin-6-amine
CID 142713547
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane
CID 122383432
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216161
2-(2,6-diphenyl-4-pyridinyl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123806675
7-methyl-2,4-diphenylquinoline
CID 13048584

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine?
The IUPAC name of 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine (CID 145194836) is 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine.
What is the SMILES notation for 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine?
The canonical SMILES for 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine is CS1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c4cc(N5c6ccccc6S(C)(C)c6ccccc65)ccc4n3)cc2)c2ccccc21.
What is the InChIKey of 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine?
The InChIKey is HYWCINZXCSIFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N3S2/c1-53(2)46-22-12-8-18-42(46)51(43-19-9-13-23-47(43)53)36-28-26-35(27-29-36)41-33-38(34-16-6-5-7-17-34)39-32-37(30-31-40(39)50-41)52-44-20-10-14-24-48(44)54(3,4)49-25-15-11-21-45(49)52/h5-33H,1-4H3.
What are the key properties of 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine?
10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine has a molecular weight of 736.02 g/mol, XLogP of 14.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-4-phenylquinolin-6-yl]-5,5-dimethylphenothiazine is sourced from PubChem (CID 145194836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).