10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine

C47H29N3S — CID 163493482

IUPAC10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1cc(-c3nc4ccccc4n3-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1N2c1ccc2ccccc2c1
InChIInChI=1S/C47H29N3S/c1-2-12-31-27-33(23-21-30(31)11-1)49-43-19-9-10-20-45(43)51-46-28-32(22-26-44(46)49)47-48-41-17-7-8-18-42(41)50(47)34-24-25-39-37-15-4-3-13-35(37)36-14-5-6-16-38(36)40(39)29-34/h1-29H
InChIKeyCOPNKUVPRAJSSV-UHFFFAOYSA-N
MW667.84 g/mol
LogP13.24
Rot. Bonds3

About 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine

10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine (PubChem CID 163493482) has the molecular formula C47H29N3S and a molecular weight of 667.84 g/mol. Its IUPAC name is 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine.

Molecular Properties

Compound Name10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
PubChem CID163493482
Molecular FormulaC47H29N3S
Molecular Weight667.84 g/mol
Exact Mass667.21
IUPAC Name10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1cc(-c3nc4ccccc4n3-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1N2c1ccc2ccccc2c1
InChIInChI=1S/C47H29N3S/c1-2-12-31-27-33(23-21-30(31)11-1)49-43-19-9-10-20-45(43)51-46-28-32(22-26-44(46)49)47-48-41-17-7-8-18-42(41)50(47)34-24-25-39-37-15-4-3-13-35(37)36-14-5-6-16-38(36)40(39)29-34/h1-29H
InChIKeyCOPNKUVPRAJSSV-UHFFFAOYSA-N
XLogP13.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 513.24
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-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
10-naphthalen-2-yl-3-(4-phenanthren-9-ylquinazolin-2-yl)phenothiazine
CID 159789134
10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine
CID 134476040
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719
1-naphthalen-2-yl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528322
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 58876083
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240
10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine?
The IUPAC name of 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine (CID 163493482) is 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine.
What is the SMILES notation for 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine?
The canonical SMILES for 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine is c1ccc2c(c1)Sc1cc(-c3nc4ccccc4n3-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1N2c1ccc2ccccc2c1.
What is the InChIKey of 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine?
The InChIKey is COPNKUVPRAJSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S/c1-2-12-31-27-33(23-21-30(31)11-1)49-43-19-9-10-20-45(43)51-46-28-32(22-26-44(46)49)47-48-41-17-7-8-18-42(41)50(47)34-24-25-39-37-15-4-3-13-35(37)36-14-5-6-16-38(36)40(39)29-34/h1-29H.
What are the key properties of 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine?
10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine has a molecular weight of 667.84 g/mol, XLogP of 13.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine is sourced from PubChem (CID 163493482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).