10-triphenylen-2-ylphenothiazine

C30H19NS — CID 141391085

IUPAC10-triphenylen-2-ylphenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C30H19NS/c1-2-11-23-21(9-1)22-10-3-4-12-24(22)26-19-20(17-18-25(23)26)31-27-13-5-7-15-29(27)32-30-16-8-6-14-28(30)31/h1-19H
InChIKeyWNTRCMFDQXYXCG-UHFFFAOYSA-N
MW425.56 g/mol
LogP9.08
Rot. Bonds1

About 10-triphenylen-2-ylphenothiazine

10-triphenylen-2-ylphenothiazine (PubChem CID 141391085) has the molecular formula C30H19NS and a molecular weight of 425.56 g/mol. Its IUPAC name is 10-triphenylen-2-ylphenothiazine.

Molecular Properties

Compound Name10-triphenylen-2-ylphenothiazine
PubChem CID141391085
Molecular FormulaC30H19NS
Molecular Weight425.56 g/mol
Exact Mass425.12
IUPAC Name10-triphenylen-2-ylphenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C30H19NS/c1-2-11-23-21(9-1)22-10-3-4-12-24(22)26-19-20(17-18-25(23)26)31-27-13-5-7-15-29(27)32-30-16-8-6-14-28(30)31/h1-19H
InChIKeyWNTRCMFDQXYXCG-UHFFFAOYSA-N
XLogP9.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-yl)-1-(10H-phenothiazin-10-yl)ethan-1-one
CID 1889619
2-[1-(4-cyclohexylphenyl)ethenyl]-10H-phenothiazine
CID 141758650
7H-Benzo(c)phenothiazine
CID 219986
12H-Benzo(b)phenothiazine
CID 255516
[3-(8,11-Dimethyl-benzo[c]phenothiazin-7-yl)-propyl]-dimethyl-amine
CID 229972
10-Methyl-7h-benzo[c]phenothiazine
CID 237061
2-(naphthalen-2-yl)-1-(10H-phenothiazin-10-yl)ethanone
CID 44435219
2-[1-(4-phenylphenyl)ethenyl]-10H-phenothiazine
CID 168291657
14H-Dibenzo[a,h]phenothiazine
CID 257253
8H-Dinaphtho(2,3-c:2',3'-h)phenothiazine
CID 633969
Dimethyl-[3-(10-methyl-benzo[c]phenothiazin-7-yl)-propyl]-amine
CID 229971
3-Benzo[c]phenothiazin-7-ylpropyl(trimethyl)ammonium
CID 5275454

Frequently Asked Questions

What is the IUPAC name of 10-triphenylen-2-ylphenothiazine?
The IUPAC name of 10-triphenylen-2-ylphenothiazine (CID 141391085) is 10-triphenylen-2-ylphenothiazine.
What is the SMILES notation for 10-triphenylen-2-ylphenothiazine?
The canonical SMILES for 10-triphenylen-2-ylphenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 10-triphenylen-2-ylphenothiazine?
The InChIKey is WNTRCMFDQXYXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NS/c1-2-11-23-21(9-1)22-10-3-4-12-24(22)26-19-20(17-18-25(23)26)31-27-13-5-7-15-29(27)32-30-16-8-6-14-28(30)31/h1-19H.
What are the key properties of 10-triphenylen-2-ylphenothiazine?
10-triphenylen-2-ylphenothiazine has a molecular weight of 425.56 g/mol, XLogP of 9.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-triphenylen-2-ylphenothiazine is sourced from PubChem (CID 141391085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).