1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene

C23H17ClSe — CID 62706569

IUPAC1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene
SMILESCc1ccc([Se]c2c(-c3ccccc3)cc3ccccc3c2Cl)cc1
InChIInChI=1S/C23H17ClSe/c1-16-11-13-19(14-12-16)25-23-21(17-7-3-2-4-8-17)15-18-9-5-6-10-20(18)22(23)24/h2-15H,1H3
InChIKeyQOOCCDPCEYZQGN-UHFFFAOYSA-N
MW407.80 g/mol
LogP5.12
Rot. Bonds3

About 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene

1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene (PubChem CID 62706569) has the molecular formula C23H17ClSe and a molecular weight of 407.80 g/mol. Its IUPAC name is 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene.

Molecular Properties

Compound Name1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene
PubChem CID62706569
Molecular FormulaC23H17ClSe
Molecular Weight407.80 g/mol
Exact Mass408.02
IUPAC Name1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene
SMILESCc1ccc([Se]c2c(-c3ccccc3)cc3ccccc3c2Cl)cc1
InChIInChI=1S/C23H17ClSe/c1-16-11-13-19(14-12-16)25-23-21(17-7-3-2-4-8-17)15-18-9-5-6-10-20(18)22(23)24/h2-15H,1H3
InChIKeyQOOCCDPCEYZQGN-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-chloro-1,3-diphenylnaphthalene
CID 12697982
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-(4-chloro-2,5-diphenylphenyl)phenanthrene
CID 170067041
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline
CID 168837037
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine
CID 10191150
3,5-dimethyl-9-phenylphenanthrene
CID 132535300

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene?
The IUPAC name of 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene (CID 62706569) is 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene.
What is the SMILES notation for 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene?
The canonical SMILES for 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene is Cc1ccc([Se]c2c(-c3ccccc3)cc3ccccc3c2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene?
The InChIKey is QOOCCDPCEYZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClSe/c1-16-11-13-19(14-12-16)25-23-21(17-7-3-2-4-8-17)15-18-9-5-6-10-20(18)22(23)24/h2-15H,1H3.
What are the key properties of 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene?
1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene has a molecular weight of 407.80 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methylphenyl)selanyl-3-phenylnaphthalene is sourced from PubChem (CID 62706569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).