10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine

C40H32N2S2 — CID 102590349

IUPAC10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
SMILESCc1cc(N2c3ccccc3Sc3ccccc32)c(C)cc1-c1cc(C)c(N2c3ccccc3Sc3ccccc32)cc1C
InChIInChI=1S/C40H32N2S2/c1-25-23-35(41-31-13-5-9-17-37(31)43-38-18-10-6-14-32(38)41)27(3)21-29(25)30-22-28(4)36(24-26(30)2)42-33-15-7-11-19-39(33)44-40-20-12-8-16-34(40)42/h5-24H,1-4H3
InChIKeyRDNZNMXKMOWOPF-UHFFFAOYSA-N
MW604.84 g/mol
LogP12.46
Rot. Bonds3

About 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine

10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine (PubChem CID 102590349) has the molecular formula C40H32N2S2 and a molecular weight of 604.84 g/mol. Its IUPAC name is 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
PubChem CID102590349
Molecular FormulaC40H32N2S2
Molecular Weight604.84 g/mol
Exact Mass604.20
IUPAC Name10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
SMILESCc1cc(N2c3ccccc3Sc3ccccc32)c(C)cc1-c1cc(C)c(N2c3ccccc3Sc3ccccc32)cc1C
InChIInChI=1S/C40H32N2S2/c1-25-23-35(41-31-13-5-9-17-37(31)43-38-18-10-6-14-32(38)41)27(3)21-29(25)30-22-28(4)36(24-26(30)2)42-33-15-7-11-19-39(33)44-40-20-12-8-16-34(40)42/h5-24H,1-4H3
InChIKeyRDNZNMXKMOWOPF-UHFFFAOYSA-N
XLogP12.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.84
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-[4-[2,5-dimethyl-4-(2-pyridin-2-yl-4-pyridinyl)phenyl]-2,5-dimethylphenyl]-2,5-dimethylphenyl]phenothiazine
CID 102039458
10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
CID 59572271
10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668748
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
CID 144918505
10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
CID 166527275
10-(2,6-ditert-butyl-10-phenothiazin-10-ylanthracen-9-yl)phenothiazine
CID 24814670
3-tert-butyl-10-phenylphenothiazine
CID 134252291
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
2-[3,5-di(phenothiazin-10-yl)phenyl]isoindole-1,3-dione
CID 130395529
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
CID 130438684

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine?
The IUPAC name of 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine (CID 102590349) is 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine.
What is the SMILES notation for 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine?
The canonical SMILES for 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine is Cc1cc(N2c3ccccc3Sc3ccccc32)c(C)cc1-c1cc(C)c(N2c3ccccc3Sc3ccccc32)cc1C.
What is the InChIKey of 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine?
The InChIKey is RDNZNMXKMOWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2S2/c1-25-23-35(41-31-13-5-9-17-37(31)43-38-18-10-6-14-32(38)41)27(3)21-29(25)30-22-28(4)36(24-26(30)2)42-33-15-7-11-19-39(33)44-40-20-12-8-16-34(40)42/h5-24H,1-4H3.
What are the key properties of 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine?
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine has a molecular weight of 604.84 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine is sourced from PubChem (CID 102590349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).