2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene

C102H64Se3 — CID 160688540

IUPAC2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccccc3[se]2)c1.c1ccc(-c2[se]c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3c2-c2ccccc2)cc1.c1ccc2[se]c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2c1
InChIInChI=1S/C44H28Se.C32H20Se.C26H16Se/c1-3-12-29(13-4-1)43-41-28-34(23-25-42(41)45-44(43)30-14-5-2-6-15-30)32-17-11-16-31(26-32)33-22-24-39-37-20-8-7-18-35(37)36-19-9-10-21-38(36)40(39)27-33;1-6-15-31-24(8-1)20-32(33-31)23-10-7-9-21(18-23)22-16-17-29-27-13-3-2-11-25(27)26-12-4-5-14-28(26)30(29)19-22;1-6-12-25-17(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/h1-28H;1-20H;1-16H
InChIKeyRPCGZCVCMSVTAN-UHFFFAOYSA-N
MW1526.51 g/mol
LogP27.74
Rot. Bonds7

About 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene

2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene (PubChem CID 160688540) has the molecular formula C102H64Se3 and a molecular weight of 1526.51 g/mol. Its IUPAC name is 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene.

Molecular Properties

Compound Name2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
PubChem CID160688540
Molecular FormulaC102H64Se3
Molecular Weight1526.51 g/mol
Exact Mass1528.25
IUPAC Name2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccccc3[se]2)c1.c1ccc(-c2[se]c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3c2-c2ccccc2)cc1.c1ccc2[se]c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2c1
InChIInChI=1S/C44H28Se.C32H20Se.C26H16Se/c1-3-12-29(13-4-1)43-41-28-34(23-25-42(41)45-44(43)30-14-5-2-6-15-30)32-17-11-16-31(26-32)33-22-24-39-37-20-8-7-18-35(37)36-19-9-10-21-38(36)40(39)27-33;1-6-15-31-24(8-1)20-32(33-31)23-10-7-9-21(18-23)22-16-17-29-27-13-3-2-11-25(27)26-12-4-5-14-28(26)30(29)19-22;1-6-12-25-17(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/h1-28H;1-20H;1-16H
InChIKeyRPCGZCVCMSVTAN-UHFFFAOYSA-N
XLogP27.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001526.51
LogP ≤ 527.74
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'}

Analyze 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene with MolForge

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Related Compounds

2-triphenylen-2-yl-1-benzoselenophene
CID 59245746
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
The IUPAC name of 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) is 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene.
What is the SMILES notation for 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
The canonical SMILES for 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccccc3[se]2)c1.c1ccc(-c2[se]c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3c2-c2ccccc2)cc1.c1ccc2[se]c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2c1.
What is the InChIKey of 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
The InChIKey is RPCGZCVCMSVTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28Se.C32H20Se.C26H16Se/c1-3-12-29(13-4-1)43-41-28-34(23-25-42(41)45-44(43)30-14-5-2-6-15-30)32-17-11-16-31(26-32)33-22-24-39-37-20-8-7-18-35(37)36-19-9-10-21-38(36)40(39)27-33;1-6-15-31-24(8-1)20-32(33-31)23-10-7-9-21(18-23)22-16-17-29-27-13-3-2-11-25(27)26-12-4-5-14-28(26)30(29)19-22;1-6-12-25-17(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/h1-28H;1-20H;1-16H.
What are the key properties of 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene has a molecular weight of 1526.51 g/mol, XLogP of 27.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene is sourced from PubChem (CID 160688540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).