3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine

C49H31N5S — CID 134476040

IUPAC3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccc6ccccc6c5)ccc43)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C49H31N5S/c1-2-12-33-27-36(22-19-32(33)11-1)53-46-17-5-6-18-48(46)55-49-29-35(21-24-47(49)53)34-20-23-45-39(28-34)38-13-3-4-16-44(38)54(45)37-30-42(40-14-7-9-25-50-40)52-43(31-37)41-15-8-10-26-51-41/h1-31H
InChIKeySSJNXALJJHBIDY-UHFFFAOYSA-N
MW721.89 g/mol
LogP13.06
Rot. Bonds5

About 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine

3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine (PubChem CID 134476040) has the molecular formula C49H31N5S and a molecular weight of 721.89 g/mol. Its IUPAC name is 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine.

Molecular Properties

Compound Name3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine
PubChem CID134476040
Molecular FormulaC49H31N5S
Molecular Weight721.89 g/mol
Exact Mass721.23
IUPAC Name3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccc6ccccc6c5)ccc43)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C49H31N5S/c1-2-12-33-27-36(22-19-32(33)11-1)53-46-17-5-6-18-48(46)55-49-29-35(21-24-47(49)53)34-20-23-45-39(28-34)38-13-3-4-16-44(38)54(45)37-30-42(40-14-7-9-25-50-40)52-43(31-37)41-15-8-10-26-51-41/h1-31H
InChIKeySSJNXALJJHBIDY-UHFFFAOYSA-N
XLogP13.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
N-(5-methylcyclohexa-1,3-dien-1-yl)-4-[3-(10-naphthalen-2-ylphenothiazin-3-yl)carbazol-9-yl]-N-phenylaniline
CID 134476038
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
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
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
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
3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487701
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
10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
CID 163493482
8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129222029
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine?
The IUPAC name of 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine (CID 134476040) is 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine.
What is the SMILES notation for 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine?
The canonical SMILES for 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccc6ccccc6c5)ccc43)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine?
The InChIKey is SSJNXALJJHBIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5S/c1-2-12-33-27-36(22-19-32(33)11-1)53-46-17-5-6-18-48(46)55-49-29-35(21-24-47(49)53)34-20-23-45-39(28-34)38-13-3-4-16-44(38)54(45)37-30-42(40-14-7-9-25-50-40)52-43(31-37)41-15-8-10-26-51-41/h1-31H.
What are the key properties of 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine?
3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine has a molecular weight of 721.89 g/mol, XLogP of 13.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine is sourced from PubChem (CID 134476040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).