8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine

C32H24N2S — CID 118668369

IUPAC8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2N(c2ccccc2)c2cc(-c3ccccn3)ccc2S1
InChIInChI=1S/C32H24N2S/c1-32(2)24-13-7-6-12-23(24)30-25(32)16-18-29-31(30)34(22-10-4-3-5-11-22)27-20-21(15-17-28(27)35-29)26-14-8-9-19-33-26/h3-20H,1-2H3
InChIKeyBGVXBLGGAPKVHD-UHFFFAOYSA-N
MW468.63 g/mol
LogP8.99
Rot. Bonds2

About 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine

8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine (PubChem CID 118668369) has the molecular formula C32H24N2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine.

Molecular Properties

Compound Name8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
PubChem CID118668369
Molecular FormulaC32H24N2S
Molecular Weight468.63 g/mol
Exact Mass468.17
IUPAC Name8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2N(c2ccccc2)c2cc(-c3ccccn3)ccc2S1
InChIInChI=1S/C32H24N2S/c1-32(2)24-13-7-6-12-23(24)30-25(32)16-18-29-31(30)34(22-10-4-3-5-11-22)27-20-21(15-17-28(27)35-29)26-14-8-9-19-33-26/h3-20H,1-2H3
InChIKeyBGVXBLGGAPKVHD-UHFFFAOYSA-N
XLogP8.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-2,13-diphenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 158129535
8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
CID 118668352
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254777
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698418
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-(22,22-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaenyl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 164832646

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine?
The IUPAC name of 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine (CID 118668369) is 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine.
What is the SMILES notation for 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine?
The canonical SMILES for 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine is CC1(C)c2ccccc2-c2c1ccc1c2N(c2ccccc2)c2cc(-c3ccccn3)ccc2S1.
What is the InChIKey of 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine?
The InChIKey is BGVXBLGGAPKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2S/c1-32(2)24-13-7-6-12-23(24)30-25(32)16-18-29-31(30)34(22-10-4-3-5-11-22)27-20-21(15-17-28(27)35-29)26-14-8-9-19-33-26/h3-20H,1-2H3.
What are the key properties of 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine?
8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine has a molecular weight of 468.63 g/mol, XLogP of 8.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine is sourced from PubChem (CID 118668369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).