2,2-bis(phenylselanyl)dodecylbenzene

C30H38Se2 — CID 134930087

IUPAC2,2-bis(phenylselanyl)dodecylbenzene
SMILESCCCCCCCCCCC(Cc1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C30H38Se2/c1-2-3-4-5-6-7-8-18-25-30(26-27-19-12-9-13-20-27,31-28-21-14-10-15-22-28)32-29-23-16-11-17-24-29/h9-17,19-24H,2-8,18,25-26H2,1H3
InChIKeyJKRPTILHFUMNLP-UHFFFAOYSA-N
MW556.55 g/mol
LogP6.94
Rot. Bonds15

About 2,2-bis(phenylselanyl)dodecylbenzene

2,2-bis(phenylselanyl)dodecylbenzene (PubChem CID 134930087) has the molecular formula C30H38Se2 and a molecular weight of 556.55 g/mol. Its IUPAC name is 2,2-bis(phenylselanyl)dodecylbenzene.

Molecular Properties

Compound Name2,2-bis(phenylselanyl)dodecylbenzene
PubChem CID134930087
Molecular FormulaC30H38Se2
Molecular Weight556.55 g/mol
Exact Mass558.13
IUPAC Name2,2-bis(phenylselanyl)dodecylbenzene
SMILESCCCCCCCCCCC(Cc1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C30H38Se2/c1-2-3-4-5-6-7-8-18-25-30(26-27-19-12-9-13-20-27,31-28-21-14-10-15-22-28)32-29-23-16-11-17-24-29/h9-17,19-24H,2-8,18,25-26H2,1H3
InChIKeyJKRPTILHFUMNLP-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.55
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 151975771
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CID 142488701
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[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461
2,2-dibenzyltetradecanoic acid
CID 174897332
3-benzyl-3-decyltridecan-2-one
CID 21201320
2-benzyl-2-pentylpropanedioic acid
CID 141045476
1,2-diphenylheptan-2-ol
CID 139785734
hexakis(decane);ethylbenzene
CID 173398562
3,3-dimethyltetradecylbenzene
CID 141108755
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
[2-(3-benzyl-2-methylheptadec-1-en-3-yl)oxy-2-prop-1-en-2-ylhexadecyl]benzene
CID 141409115

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylselanyl)dodecylbenzene?
The IUPAC name of 2,2-bis(phenylselanyl)dodecylbenzene (CID 134930087) is 2,2-bis(phenylselanyl)dodecylbenzene.
What is the SMILES notation for 2,2-bis(phenylselanyl)dodecylbenzene?
The canonical SMILES for 2,2-bis(phenylselanyl)dodecylbenzene is CCCCCCCCCCC(Cc1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of 2,2-bis(phenylselanyl)dodecylbenzene?
The InChIKey is JKRPTILHFUMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38Se2/c1-2-3-4-5-6-7-8-18-25-30(26-27-19-12-9-13-20-27,31-28-21-14-10-15-22-28)32-29-23-16-11-17-24-29/h9-17,19-24H,2-8,18,25-26H2,1H3.
What are the key properties of 2,2-bis(phenylselanyl)dodecylbenzene?
2,2-bis(phenylselanyl)dodecylbenzene has a molecular weight of 556.55 g/mol, XLogP of 6.94, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phenylselanyl)dodecylbenzene is sourced from PubChem (CID 134930087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).