14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine

C35H30N2S — CID 123627452

IUPAC14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine
SMILESCc1ccc(N2c3ccccc3Sc3c2ccc2c3C(C)(C)c3ccccc3N2c2ccc(C)cc2)cc1
InChIInChI=1S/C35H30N2S/c1-23-13-17-25(18-14-23)36-28-10-6-5-9-27(28)35(3,4)33-30(36)21-22-31-34(33)38-32-12-8-7-11-29(32)37(31)26-19-15-24(2)16-20-26/h5-22H,1-4H3
InChIKeyHTNNMPVECNSQFG-UHFFFAOYSA-N
MW510.71 g/mol
LogP10.35
Rot. Bonds2

About 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine

14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine (PubChem CID 123627452) has the molecular formula C35H30N2S and a molecular weight of 510.71 g/mol. Its IUPAC name is 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine.

Molecular Properties

Compound Name14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine
PubChem CID123627452
Molecular FormulaC35H30N2S
Molecular Weight510.71 g/mol
Exact Mass510.21
IUPAC Name14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine
SMILESCc1ccc(N2c3ccccc3Sc3c2ccc2c3C(C)(C)c3ccccc3N2c2ccc(C)cc2)cc1
InChIInChI=1S/C35H30N2S/c1-23-13-17-25(18-14-23)36-28-10-6-5-9-27(28)35(3,4)33-30(36)21-22-31-34(33)38-32-12-8-7-11-29(32)37(31)26-19-15-24(2)16-20-26/h5-22H,1-4H3
InChIKeyHTNNMPVECNSQFG-UHFFFAOYSA-N
XLogP10.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.71
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine
CID 160547403
10-[4-(7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-yl)phenyl]phenothiazine
CID 140856001
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528525
14,14-dimethyl-5-[4-(2-phenylbenzo[h]quinazolin-4-yl)phenyl]-8H-thiochromeno[2,3-a]acridine
CID 147033236
17-(9,9-dimethylacridin-10-yl)-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene
CID 140856065
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
[2-[4-(9,9-dimethylacridin-10-yl)phenyl]-3-(4-methylbenzenecarboximidoyl)phenyl]-(4-methylphenyl)methanimine
CID 177422791
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine?
The IUPAC name of 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine (CID 123627452) is 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine.
What is the SMILES notation for 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine?
The canonical SMILES for 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine is Cc1ccc(N2c3ccccc3Sc3c2ccc2c3C(C)(C)c3ccccc3N2c2ccc(C)cc2)cc1.
What is the InChIKey of 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine?
The InChIKey is HTNNMPVECNSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2S/c1-23-13-17-25(18-14-23)36-28-10-6-5-9-27(28)35(3,4)33-30(36)21-22-31-34(33)38-32-12-8-7-11-29(32)37(31)26-19-15-24(2)16-20-26/h5-22H,1-4H3.
What are the key properties of 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine?
14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine has a molecular weight of 510.71 g/mol, XLogP of 10.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine is sourced from PubChem (CID 123627452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).