10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine

C44H28N2S — CID 134476041

IUPAC10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1N2c1ccc2ccccc2c1
InChIInChI=1S/C44H28N2S/c1-3-11-31-25-35(21-17-29(31)9-1)45-39-14-6-5-13-37(39)38-27-33(19-23-40(38)45)34-20-24-42-44(28-34)47-43-16-8-7-15-41(43)46(42)36-22-18-30-10-2-4-12-32(30)26-36/h1-28H
InChIKeyRAAIVKKKQWNYJN-UHFFFAOYSA-N
MW616.79 g/mol
LogP12.69
Rot. Bonds3

About 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine

10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine (PubChem CID 134476041) has the molecular formula C44H28N2S and a molecular weight of 616.79 g/mol. Its IUPAC name is 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine.

Molecular Properties

Compound Name10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
PubChem CID134476041
Molecular FormulaC44H28N2S
Molecular Weight616.79 g/mol
Exact Mass616.20
IUPAC Name10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1N2c1ccc2ccccc2c1
InChIInChI=1S/C44H28N2S/c1-3-11-31-25-35(21-17-29(31)9-1)45-39-14-6-5-13-37(39)38-27-33(19-23-40(38)45)34-20-24-42-44(28-34)47-43-16-8-7-15-41(43)46(42)36-22-18-30-10-2-4-12-32(30)26-36/h1-28H
InChIKeyRAAIVKKKQWNYJN-UHFFFAOYSA-N
XLogP12.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine
CID 134476040
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 161232958
10-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenothiazine;3-carbazol-9-yl-10-methylphenothiazine;3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;3,7-di(carbazol-9-yl)-10-methylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;10-(9-methylcarbazol-3-yl)phenothiazine;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;10-(9-methyl-6-phenothiazin-10-ylcarbazol-3-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 159798260
3,7-bis(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methyl-7-(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3,7-bis(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3-(4-phenothiazin-10-ylphenyl)phenothiazine
CID 159482320
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
N-(5-methylcyclohexa-1,3-dien-1-yl)-4-[3-(10-naphthalen-2-ylphenothiazin-3-yl)carbazol-9-yl]-N-phenylaniline
CID 134476038
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393
10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
CID 163493482
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine?
The IUPAC name of 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine (CID 134476041) is 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine.
What is the SMILES notation for 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine?
The canonical SMILES for 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine is c1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1N2c1ccc2ccccc2c1.
What is the InChIKey of 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine?
The InChIKey is RAAIVKKKQWNYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S/c1-3-11-31-25-35(21-17-29(31)9-1)45-39-14-6-5-13-37(39)38-27-33(19-23-40(38)45)34-20-24-42-44(28-34)47-43-16-8-7-15-41(43)46(42)36-22-18-30-10-2-4-12-32(30)26-36/h1-28H.
What are the key properties of 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine?
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine has a molecular weight of 616.79 g/mol, XLogP of 12.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine is sourced from PubChem (CID 134476041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).