9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine

C58H36N2S2 — CID 155791240

IUPAC9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Sc4ccc(-c5ccc6c(c5)N(c5ccc7c8ccccc8c8ccccc8c7c5)c5ccc7ccccc7c5S6)cc43)cc2)cc1
InChIInChI=1S/C58H36N2S2/c1-2-12-37(13-3-1)38-22-27-42(28-23-38)59-51-20-10-11-21-55(51)61-56-32-25-40(34-53(56)59)41-26-33-57-54(35-41)60(52-31-24-39-14-4-5-15-44(39)58(52)62-57)43-29-30-49-47-18-7-6-16-45(47)46-17-8-9-19-48(46)50(49)36-43/h1-36H
InChIKeyCHEUKGCOXIDNRK-UHFFFAOYSA-N
MW825.07 g/mol
LogP17.50
Rot. Bonds4

About 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine

9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine (PubChem CID 155791240) has the molecular formula C58H36N2S2 and a molecular weight of 825.07 g/mol. Its IUPAC name is 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine.

Molecular Properties

Compound Name9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
PubChem CID155791240
Molecular FormulaC58H36N2S2
Molecular Weight825.07 g/mol
Exact Mass824.23
IUPAC Name9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Sc4ccc(-c5ccc6c(c5)N(c5ccc7c8ccccc8c8ccccc8c7c5)c5ccc7ccccc7c5S6)cc43)cc2)cc1
InChIInChI=1S/C58H36N2S2/c1-2-12-37(13-3-1)38-22-27-42(28-23-38)59-51-20-10-11-21-55(51)61-56-32-25-40(34-53(56)59)41-26-33-57-54(35-41)60(52-31-24-39-14-4-5-15-44(39)58(52)62-57)43-29-30-49-47-18-7-6-16-45(47)46-17-8-9-19-48(46)50(49)36-43/h1-36H
InChIKeyCHEUKGCOXIDNRK-UHFFFAOYSA-N
XLogP17.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene
CID 159221708
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
10-(27-thiaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21(26),22,24-tetradecaen-23-yl)phenothiazine
CID 146511399
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
CID 163493482

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine?
The IUPAC name of 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine (CID 155791240) is 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine.
What is the SMILES notation for 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine?
The canonical SMILES for 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine is c1ccc(-c2ccc(N3c4ccccc4Sc4ccc(-c5ccc6c(c5)N(c5ccc7c8ccccc8c8ccccc8c7c5)c5ccc7ccccc7c5S6)cc43)cc2)cc1.
What is the InChIKey of 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine?
The InChIKey is CHEUKGCOXIDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S2/c1-2-12-37(13-3-1)38-22-27-42(28-23-38)59-51-20-10-11-21-55(51)61-56-32-25-40(34-53(56)59)41-26-33-57-54(35-41)60(52-31-24-39-14-4-5-15-44(39)58(52)62-57)43-29-30-49-47-18-7-6-16-45(47)46-17-8-9-19-48(46)50(49)36-43/h1-36H.
What are the key properties of 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine?
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine has a molecular weight of 825.07 g/mol, XLogP of 17.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine is sourced from PubChem (CID 155791240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).