10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine

C42H26N2Te2 — CID 144799086

IUPAC10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine
SMILESc1ccc2c(c1)[Te]c1ccccc1N2c1ccc2c3ccccc3c3ccc(N4c5ccccc5[Te]c5ccccc54)cc3c2c1
InChIInChI=1S/C42H26N2Te2/c1-2-12-30-29(11-1)31-23-21-27(43-35-13-3-7-17-39(35)45-40-18-8-4-14-36(40)43)25-33(31)34-26-28(22-24-32(30)34)44-37-15-5-9-19-41(37)46-42-20-10-6-16-38(42)44/h1-26H
InChIKeyMHWROWVEAIGTPX-UHFFFAOYSA-N
MW813.88 g/mol
LogP8.02
Rot. Bonds2

About 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine

10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine (PubChem CID 144799086) has the molecular formula C42H26N2Te2 and a molecular weight of 813.88 g/mol. Its IUPAC name is 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine.

Molecular Properties

Compound Name10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine
PubChem CID144799086
Molecular FormulaC42H26N2Te2
Molecular Weight813.88 g/mol
Exact Mass818.02
IUPAC Name10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine
SMILESc1ccc2c(c1)[Te]c1ccccc1N2c1ccc2c3ccccc3c3ccc(N4c5ccccc5[Te]c5ccccc54)cc3c2c1
InChIInChI=1S/C42H26N2Te2/c1-2-12-30-29(11-1)31-23-21-27(43-35-13-3-7-17-39(35)45-40-18-8-4-14-36(40)43)25-33(31)34-26-28(22-24-32(30)34)44-37-15-5-9-19-41(37)46-42-20-10-6-16-38(42)44/h1-26H
InChIKeyMHWROWVEAIGTPX-UHFFFAOYSA-N
XLogP8.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.88
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-triphenylen-2-ylphenothiazine 5,5-dioxide
CID 141391084
1-methyl-8,14-diphenyl-22-triphenylen-2-yl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140849325
1,2,3,4,6,7,8,9-octadeuterio-10-[7-(1,2,3,4,6,7,8,9-octadeuteriophenoxazin-10-yl)triphenylen-2-yl]phenoxazine
CID 121475658
1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849000
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
11-[6-benzo[b][1]benzazepin-11-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]benzo[b][1]benzazepine
CID 59220256
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
14-[7-(10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459653
3,4,5,6,16,17,18,19-octadeuterio-8-triphenylen-1-yl-14-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 171751098
29-carbazol-9-yl-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaene
CID 168843279
14-triphenylen-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397326

Frequently Asked Questions

What is the IUPAC name of 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine?
The IUPAC name of 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine (CID 144799086) is 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine.
What is the SMILES notation for 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine?
The canonical SMILES for 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine is c1ccc2c(c1)[Te]c1ccccc1N2c1ccc2c3ccccc3c3ccc(N4c5ccccc5[Te]c5ccccc54)cc3c2c1.
What is the InChIKey of 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine?
The InChIKey is MHWROWVEAIGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2Te2/c1-2-12-30-29(11-1)31-23-21-27(43-35-13-3-7-17-39(35)45-40-18-8-4-14-36(40)43)25-33(31)34-26-28(22-24-32(30)34)44-37-15-5-9-19-41(37)46-42-20-10-6-16-38(42)44/h1-26H.
What are the key properties of 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine?
10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine has a molecular weight of 813.88 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine is sourced from PubChem (CID 144799086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).