10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine

C64H62N4S2 — CID 102406623

IUPAC10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine
SMILESCCCCC(CC)CN1c2ccccc2Sc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)Sc5ccccc5N6CC(CC)CCCC)ccc43)ccc21
InChIInChI=1S/C64H62N4S2/c1-5-9-19-43(7-3)41-65-57-25-15-17-27-61(57)69-63-39-47(31-35-59(63)65)67-53-23-13-11-21-49(53)51-37-45(29-33-55(51)67)46-30-34-56-52(38-46)50-22-12-14-24-54(50)68(56)48-32-36-60-64(40-48)70-62-28-18-16-26-58(62)66(60)42-44(8-4)20-10-6-2/h11-18,21-40,43-44H,5-10,19-20,41-42H2,1-4H3
InChIKeyUUILHKOZPNMRTI-UHFFFAOYSA-N
MW951.36 g/mol
LogP19.19
Rot. Bonds15

About 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine

10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine (PubChem CID 102406623) has the molecular formula C64H62N4S2 and a molecular weight of 951.36 g/mol. Its IUPAC name is 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine.

Molecular Properties

Compound Name10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine
PubChem CID102406623
Molecular FormulaC64H62N4S2
Molecular Weight951.36 g/mol
Exact Mass950.44
IUPAC Name10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine
SMILESCCCCC(CC)CN1c2ccccc2Sc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)Sc5ccccc5N6CC(CC)CCCC)ccc43)ccc21
InChIInChI=1S/C64H62N4S2/c1-5-9-19-43(7-3)41-65-57-25-15-17-27-61(57)69-63-39-47(31-35-59(63)65)67-53-23-13-11-21-49(53)51-37-45(29-33-55(51)67)46-30-34-56-52(38-46)50-22-12-14-24-54(50)68(56)48-32-36-60-64(40-48)70-62-28-18-16-26-58(62)66(60)42-44(8-4)20-10-6-2/h11-18,21-40,43-44H,5-10,19-20,41-42H2,1-4H3
InChIKeyUUILHKOZPNMRTI-UHFFFAOYSA-N
XLogP19.19
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.36
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dibromo-10-(2-ethylhexyl)phenothiazine
CID 71356385
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
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
10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325
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
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719
4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795212
3,5-bis[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]benzoic acid
CID 90067763

Frequently Asked Questions

What is the IUPAC name of 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine?
The IUPAC name of 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine (CID 102406623) is 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine.
What is the SMILES notation for 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine?
The canonical SMILES for 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine is CCCCC(CC)CN1c2ccccc2Sc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)Sc5ccccc5N6CC(CC)CCCC)ccc43)ccc21.
What is the InChIKey of 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine?
The InChIKey is UUILHKOZPNMRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N4S2/c1-5-9-19-43(7-3)41-65-57-25-15-17-27-61(57)69-63-39-47(31-35-59(63)65)67-53-23-13-11-21-49(53)51-37-45(29-33-55(51)67)46-30-34-56-52(38-46)50-22-12-14-24-54(50)68(56)48-32-36-60-64(40-48)70-62-28-18-16-26-58(62)66(60)42-44(8-4)20-10-6-2/h11-18,21-40,43-44H,5-10,19-20,41-42H2,1-4H3.
What are the key properties of 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine?
10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine has a molecular weight of 951.36 g/mol, XLogP of 19.19, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-ethylhexyl)-3-[3-[9-[10-(2-ethylhexyl)phenothiazin-3-yl]carbazol-3-yl]carbazol-9-yl]phenothiazine is sourced from PubChem (CID 102406623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).