2-triphenylen-2-yl-1-benzoselenophene

C26H16Se — CID 59245746

IUPAC2-triphenylen-2-yl-1-benzoselenophene
SMILESc1ccc2[se]c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2c1
InChIInChI=1S/C26H16Se/c1-6-12-25-17(7-1)16-26(27-25)18-13-14-23-21-10-3-2-8-19(21)20-9-4-5-11-22(20)24(23)15-18/h1-16H
InChIKeyRSCJAKPBXXBKSF-UHFFFAOYSA-N
MW407.37 g/mol
LogP7.02
Rot. Bonds1

About 2-triphenylen-2-yl-1-benzoselenophene

2-triphenylen-2-yl-1-benzoselenophene (PubChem CID 59245746) has the molecular formula C26H16Se and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-triphenylen-2-yl-1-benzoselenophene.

Molecular Properties

Compound Name2-triphenylen-2-yl-1-benzoselenophene
PubChem CID59245746
Molecular FormulaC26H16Se
Molecular Weight407.37 g/mol
Exact Mass408.04
IUPAC Name2-triphenylen-2-yl-1-benzoselenophene
SMILESc1ccc2[se]c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2c1
InChIInChI=1S/C26H16Se/c1-6-12-25-17(7-1)16-26(27-25)18-13-14-23-21-10-3-2-8-19(21)20-9-4-5-11-22(20)24(23)15-18/h1-16H
InChIKeyRSCJAKPBXXBKSF-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.37
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
CID 160688540
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
2,6-diphenylselenopheno[3,2-f][1]benzoselenole
CID 86054141
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
2-(4-methylphenyl)selenochromen-4-one
CID 132819686

Frequently Asked Questions

What is the IUPAC name of 2-triphenylen-2-yl-1-benzoselenophene?
The IUPAC name of 2-triphenylen-2-yl-1-benzoselenophene (CID 59245746) is 2-triphenylen-2-yl-1-benzoselenophene.
What is the SMILES notation for 2-triphenylen-2-yl-1-benzoselenophene?
The canonical SMILES for 2-triphenylen-2-yl-1-benzoselenophene is c1ccc2[se]c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2c1.
What is the InChIKey of 2-triphenylen-2-yl-1-benzoselenophene?
The InChIKey is RSCJAKPBXXBKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Se/c1-6-12-25-17(7-1)16-26(27-25)18-13-14-23-21-10-3-2-8-19(21)20-9-4-5-11-22(20)24(23)15-18/h1-16H.
What are the key properties of 2-triphenylen-2-yl-1-benzoselenophene?
2-triphenylen-2-yl-1-benzoselenophene has a molecular weight of 407.37 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylen-2-yl-1-benzoselenophene is sourced from PubChem (CID 59245746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).