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

C209H143N13S9 — CID 159482320

IUPAC3,7-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
SMILESCN1c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Sc2cc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccc21.CN1c2ccccc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccccc2Sc2cc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccc21
InChIInChI=1S/C49H33N3S3.C49H33N3S2.C49H33N3S.C31H22N2S2.C31H22N2S/c1-50-38-28-22-34(32-18-24-36(25-19-32)51-40-10-2-6-14-44(40)53-45-15-7-3-11-41(45)51)30-48(38)55-49-31-35(23-29-39(49)50)33-20-26-37(27-21-33)52-42-12-4-8-16-46(42)54-47-17-9-5-13-43(47)52;1-50-42-28-22-34(32-18-24-36(25-19-32)51-40-12-4-2-10-38(40)39-11-3-5-13-41(39)51)30-48(42)54-49-31-35(23-29-43(49)50)33-20-26-37(27-21-33)52-44-14-6-8-16-46(44)53-47-17-9-7-15-45(47)52;1-50-46-28-22-34(32-18-24-36(25-19-32)51-42-14-6-2-10-38(42)39-11-3-7-15-43(39)51)30-48(46)53-49-31-35(23-29-47(49)50)33-20-26-37(27-21-33)52-44-16-8-4-12-40(44)41-13-5-9-17-45(41)52;1-32-24-8-2-5-11-28(24)35-31-20-22(16-19-25(31)32)21-14-17-23(18-15-21)33-26-9-3-6-12-29(26)34-30-13-7-4-10-27(30)33;1-32-28-12-6-7-13-30(28)34-31-20-22(16-19-29(31)32)21-14-17-23(18-15-21)33-26-10-4-2-8-24(26)25-9-3-5-11-27(25)33/h2-31H,1H3;2-31H,1H3;2-31H,1H3;2-20H,1H3;2-20H,1H3
InChIKeyLXDOGHBZQBWPQN-UHFFFAOYSA-N
MW3125.14 g/mol
LogP61.06
Rot. Bonds16

About 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

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 (PubChem CID 159482320) has the molecular formula C209H143N13S9 and a molecular weight of 3125.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,7-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
PubChem CID159482320
Molecular FormulaC209H143N13S9
Molecular Weight3125.14 g/mol
Exact Mass3121.91
IUPAC Name3,7-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
SMILESCN1c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Sc2cc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccc21.CN1c2ccccc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccccc2Sc2cc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccc21
InChIInChI=1S/C49H33N3S3.C49H33N3S2.C49H33N3S.C31H22N2S2.C31H22N2S/c1-50-38-28-22-34(32-18-24-36(25-19-32)51-40-10-2-6-14-44(40)53-45-15-7-3-11-41(45)51)30-48(38)55-49-31-35(23-29-39(49)50)33-20-26-37(27-21-33)52-42-12-4-8-16-46(42)54-47-17-9-5-13-43(47)52;1-50-42-28-22-34(32-18-24-36(25-19-32)51-40-12-4-2-10-38(40)39-11-3-5-13-41(39)51)30-48(42)54-49-31-35(23-29-43(49)50)33-20-26-37(27-21-33)52-44-14-6-8-16-46(44)53-47-17-9-7-15-45(47)52;1-50-46-28-22-34(32-18-24-36(25-19-32)51-42-14-6-2-10-38(42)39-11-3-7-15-43(39)51)30-48(46)53-49-31-35(23-29-47(49)50)33-20-26-37(27-21-33)52-44-16-8-4-12-40(44)41-13-5-9-17-45(41)52;1-32-24-8-2-5-11-28(24)35-31-20-22(16-19-25(31)32)21-14-17-23(18-15-21)33-26-9-3-6-12-29(26)34-30-13-7-4-10-27(30)33;1-32-28-12-6-7-13-30(28)34-31-20-22(16-19-29(31)32)21-14-17-23(18-15-21)33-26-10-4-2-8-24(26)25-9-3-5-11-27(25)33/h2-31H,1H3;2-31H,1H3;2-31H,1H3;2-20H,1H3;2-20H,1H3
InChIKeyLXDOGHBZQBWPQN-UHFFFAOYSA-N
XLogP61.06
TPSA48.88 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003125.14
LogP ≤ 561.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Sc2cc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccc21.CN1c2ccccc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.CN1c2ccccc2Sc2cc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccc21.
What is the InChIKey of 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?
The InChIKey is LXDOGHBZQBWPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3S3.C49H33N3S2.C49H33N3S.C31H22N2S2.C31H22N2S/c1-50-38-28-22-34(32-18-24-36(25-19-32)51-40-10-2-6-14-44(40)53-45-15-7-3-11-41(45)51)30-48(38)55-49-31-35(23-29-39(49)50)33-20-26-37(27-21-33)52-42-12-4-8-16-46(42)54-47-17-9-5-13-43(47)52;1-50-42-28-22-34(32-18-24-36(25-19-32)51-40-12-4-2-10-38(40)39-11-3-5-13-41(39)51)30-48(42)54-49-31-35(23-29-43(49)50)33-20-26-37(27-21-33)52-44-14-6-8-16-46(44)53-47-17-9-7-15-45(47)52;1-50-46-28-22-34(32-18-24-36(25-19-32)51-42-14-6-2-10-38(42)39-11-3-7-15-43(39)51)30-48(46)53-49-31-35(23-29-47(49)50)33-20-26-37(27-21-33)52-44-16-8-4-12-40(44)41-13-5-9-17-45(41)52;1-32-24-8-2-5-11-28(24)35-31-20-22(16-19-25(31)32)21-14-17-23(18-15-21)33-26-9-3-6-12-29(26)34-30-13-7-4-10-27(30)33;1-32-28-12-6-7-13-30(28)34-31-20-22(16-19-29(31)32)21-14-17-23(18-15-21)33-26-10-4-2-8-24(26)25-9-3-5-11-27(25)33/h2-31H,1H3;2-31H,1H3;2-31H,1H3;2-20H,1H3;2-20H,1H3.
What are the key properties of 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?
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 has a molecular weight of 3125.14 g/mol, XLogP of 61.06, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159482320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).